data_1uil_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 1uil _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 ' 23' ' ' TRP . . . . . . . . . . . . . 14.8 m95 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -94.34 144.67 25.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.0 mt -33.78 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.5 mt-10 -67.98 -57.39 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' THR . 31.3 m120 -52.08 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -38.28 -54.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 4.6 tptm -47.29 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.47 -61.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ALA . 27.0 tpt180 -38.04 -54.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 18.3 tp -47.77 -57.1 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -57.84 -35.99 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.56 -44.26 94.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.84 -33.51 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.0 m-85 -80.55 -20.83 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.97 -45.28 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -55.24 24.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.56 -19.54 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 77.34 16.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 42.9 mt -72.78 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 9.8 pt20 -126.88 126.63 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.45 132.58 3.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.8 OUTLIER -121.29 -173.53 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 62' ' ' MET . 31.3 m-85 -116.58 144.99 43.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.42 103.74 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 -90.84 118.68 30.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -112.17 111.09 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.476 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -75.53 126.43 31.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.91 172.83 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.72 177.95 12.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 162.79 36.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -58.27 -54.79 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.4 p-80 -43.08 -36.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 4.9 t30 -147.79 86.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.61 166.42 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 138.87 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -97.41 99.25 10.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.33 102.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -88.44 109.22 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -116.45 139.93 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.562 ' HE2' ' CE1' ' A' ' 45' ' ' TYR . 33.7 ttm -141.83 143.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -133.86 136.27 44.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.2 pt -136.92 150.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.407 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.2 t80 -117.96 136.38 53.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.0 mm -110.11 118.33 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -37.83 54.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 9.5 pt20 -61.11 -14.91 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 17.8 mt -110.21 -34.84 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.23 7.99 63.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.77 -178.74 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.407 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.18 153.12 47.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.5 pt -120.1 136.96 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -116.78 155.04 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -141.42 156.23 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.8 ttp180 -167.12 95.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -106.46 -174.67 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.48 60.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -172.91 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -68.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -104.25 163.42 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -44.9 -39.74 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -64.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 85' ' ' ALA . 3.9 mm? -47.5 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -35.04 -54.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.99 -65.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.1 m -45.26 -50.03 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -51.68 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 32' ' ' LEU . . . -47.75 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 38.2 tp -40.3 -33.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.08 -53.46 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.4 mm? -67.28 -39.22 86.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.27 -60.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -46.66 -47.26 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -50.78 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.77 -52.4 32.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.25 -26.22 67.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CD2' HD23 ' A' ' 100' ' ' LEU . 1.3 t60 -74.54 -55.67 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 99' ' ' HIS . 0.9 OUTLIER -58.08 -46.87 84.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.66 57.58 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.475 ' CG2' HD12 ' A' ' 69' ' ' LEU . 95.5 t -117.04 -51.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.3 pt -95.06 -176.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 m95 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 19.0 p -89.74 149.82 22.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.7 mt -32.59 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -67.9 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ALA . 34.5 m120 -49.39 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -36.78 -57.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 1.4 tttt -45.36 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.76 -58.98 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' GLN . 24.9 tpt180 -36.68 -64.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.1 tp -40.44 -58.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -49.19 -45.03 43.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.4 mm-40 -59.12 -53.74 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.411 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 59.0 t80 -50.69 -33.13 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 35' ' ' TYR . 14.1 m-30 -82.06 -20.33 38.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -86.42 -40.23 15.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -59.23 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -68.33 -11.71 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.93 25.07 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -81.77 164.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 12.8 pt20 -128.94 126.79 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.75 128.82 2.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -113.88 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.59 144.12 39.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.28 103.89 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 87.7 m-85 -90.2 122.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -112.57 113.67 25.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -80.45 117.91 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.3 m -117.88 179.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.48 -179.34 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.03 155.77 42.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.31 -52.42 63.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.3 p-80 -44.66 -39.57 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 46.4 t30 -145.06 84.74 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -119.51 -175.91 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.31 122.48 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -79.81 110.77 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.2 mt -80.05 101.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.496 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -85.73 108.28 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -116.98 143.61 45.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.45 ' N ' ' SG ' ' A' ' 89' ' ' CYS . 27.3 ttm -144.99 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.3 m -132.45 139.03 47.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 pt -138.57 157.66 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -119.57 138.07 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.5 mm -111.99 118.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -38.64 52.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 12.5 pt20 -61.81 -17.9 57.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 9.4 mt -104.65 -35.52 7.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.62 9.35 61.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.77 -171.59 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 150.64 40.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 pt -113.65 155.9 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -133.32 151.42 51.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -137.18 156.89 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.21 97.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.32 176.9 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -126.63 99.98 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.81 156.21 18.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -57.3 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -117.93 161.85 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -42.27 -63.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.2 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.3 mt -39.7 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -38.06 -64.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -40.7 -63.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.418 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -38.63 -46.49 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.479 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.2 -54.12 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.1 t -45.91 -59.74 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 93' ' ' LEU . . . -44.61 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 26.6 tp -40.33 -35.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -58.14 -51.07 71.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mm? -70.07 -44.79 68.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 103' ' ' ILE . 57.7 t -51.66 -49.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.73 -51.61 66.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.88 -41.31 86.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' CB ' ' A' ' 102' ' ' VAL . 32.4 mt -58.45 -55.07 39.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 2.6 t80 -57.39 -46.45 83.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -59.76 -66.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.7 mt -45.86 -49.15 15.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.19 62.54 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 69' ' ' LEU . 76.8 t -121.32 -46.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 94' ' ' VAL . 18.0 pt -103.17 171.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 26.1 m95 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.5 p -98.97 144.91 27.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 mt -32.47 -42.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mm-40 -61.3 -66.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.6 m120 -47.28 -61.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -37.43 -67.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -39.96 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.93 -64.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.609 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 1.2 tmt_? -38.14 -58.19 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 90' ' ' ALA . 22.8 tp -39.71 -56.62 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.64 -42.23 78.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.0 mm-40 -58.73 -48.04 82.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.39 -33.53 65.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.4 m-85 -83.71 -20.05 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.73 -41.14 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -71.46 -53.56 13.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.8 mm-40 -71.51 -14.46 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.32 20.49 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 26.8 mt -78.91 164.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 5.1 mt-30 -125.4 128.61 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.45 127.61 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -115.53 -176.41 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' OH ' ' CD2' ' A' ' 32' ' ' LEU . 66.3 m-85 -113.79 134.84 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -99.72 105.41 17.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 78.6 m-85 -90.35 120.17 31.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -112.1 107.75 16.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.8 tt0 -74.96 130.96 40.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.92 -171.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 176.13 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.605 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.05 162.04 37.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -58.45 -56.03 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.605 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.66 -33.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 1.1 t30 -151.35 86.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.68 173.07 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -154.8 135.97 13.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 54.5 m-85 -93.91 108.59 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.64 100.97 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -85.01 107.84 17.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.15 138.34 51.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.4 ' N ' ' SG ' ' A' ' 89' ' ' CYS . 26.4 ttm -141.44 143.62 33.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 m -133.58 137.62 45.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 pt -138.1 149.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.418 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 9.1 t80 -113.51 136.25 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.504 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.0 mm -110.09 118.04 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -38.25 53.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.7 pt20 -61.87 -16.98 54.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 12.1 mt -106.31 -34.82 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.62 62.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.4 ' CZ ' HD23 ' A' ' 100' ' ' LEU . 1.8 ptm180 -136.44 -175.41 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -140.78 149.47 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -114.67 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -128.42 152.89 47.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.45 154.19 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -166.46 92.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -104.26 176.78 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 74.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.77 178.8 50.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.0 t -78.99 -53.21 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -119.12 157.84 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 13.6 mttp -40.81 -55.63 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 3.4 mmtt -46.96 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.0 mt -39.6 -70.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -37.31 -63.78 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' CYS . . . -42.85 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -38.79 -42.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.496 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 7.8 m -65.92 -49.12 69.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -52.14 -56.9 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 32' ' ' LEU . . . -45.54 -71.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ALA . 33.8 tp -39.61 -35.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -58.4 -55.02 40.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.5 mm? -65.62 -41.26 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.4 t -52.91 -60.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -54.57 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.93 -49.51 71.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.5 -53.53 22.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 4.5 t80 -62.0 -45.62 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.545 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.33 -62.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 15.5 mt -53.11 -47.37 68.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.96 58.73 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 69' ' ' LEU . 77.8 t -115.5 -47.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.2 pt -102.17 178.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 13.0 m95 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -96.85 151.19 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 3.9 mt -34.81 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.66 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' ALA . 24.1 m120 -48.34 -60.95 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -35.3 -64.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -50.73 -55.0 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.46 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 22.2 tpt180 -38.73 -56.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 19.7 tp -42.38 -50.29 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -62.06 -39.18 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.52 -41.23 98.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.26 -34.29 77.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.44 -21.37 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.67 -39.99 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -69.5 -53.65 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -12.63 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 72.76 12.04 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 26.9 mt -69.18 166.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 11.8 pt20 -128.63 125.52 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 133.16 4.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.35 164.28 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' HE1' ' A' ' 62' ' ' MET . 75.8 m-85 -107.66 137.62 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.74 110.15 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -91.44 125.05 36.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 m -117.66 105.71 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -70.85 131.18 43.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.09 173.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.93 177.72 12.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.01 156.91 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.73 -56.38 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.5 p-80 -40.94 -44.34 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.534 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.7 t30 -138.53 87.07 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 171.34 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -154.27 129.05 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.37 104.37 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.7 mt -69.14 105.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 110.63 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.77 139.2 50.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.476 ' HE1' ' CE1' ' A' ' 45' ' ' TYR . 28.7 ttm -146.87 141.57 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 m -128.76 142.16 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.5 pt -140.81 151.6 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.401 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.6 t80 -116.89 137.47 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.2 mm -112.15 117.13 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -38.58 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 21.4 pt20 -61.91 -15.38 42.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -106.82 -38.07 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.83 9.07 57.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.5 -172.05 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.401 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -142.64 150.44 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 pt -114.33 148.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -127.57 151.26 49.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -137.62 157.47 46.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -170.09 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -99.2 -178.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -135.7 60.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -163.19 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -96.65 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -106.74 162.73 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -41.06 -46.63 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -72.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -41.51 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -33.22 -57.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -38.55 -65.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 74.5 m -45.16 -57.3 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.0 OUTLIER -43.52 -55.63 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 108.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 29' ' ' LYS . . . -50.18 -67.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' ALA . 35.9 tp -39.54 -33.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.35 -54.18 44.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.7 mm? -68.4 -42.33 79.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 103' ' ' ILE . 47.8 t -54.79 -49.83 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 2.1 mtp180 -54.7 -53.18 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.92 -46.74 81.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.53 -54.43 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 4.0 t80 -54.28 -60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -44.93 -59.66 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 14.9 mt -50.2 -47.0 54.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.76 47.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.01 -38.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 94' ' ' VAL . 18.3 pt -112.76 -177.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 18.7 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -95.79 148.81 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 1.4 mt -33.79 -38.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 8.2 mt-10 -66.97 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 27.6 m120 -51.4 -62.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -37.04 -48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 45' ' ' TYR . 16.8 tptt -58.57 -73.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.64 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 22.7 tpt180 -37.56 -51.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.3 tp -48.29 -58.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -52.98 -38.0 61.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.36 -48.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -57.21 -33.93 68.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.8 m-85 -83.43 -21.32 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -83.99 -38.03 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -57.12 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -68.7 -16.54 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 73.24 25.08 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 27.4 mt -82.21 165.7 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.452 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -127.44 127.31 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.44 127.7 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -115.82 -176.38 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NZ ' ' A' ' 29' ' ' LYS . 93.3 m-85 -109.4 156.8 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 101.93 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 93.3 m-85 -90.56 122.58 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 m -117.81 107.61 14.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.65 130.13 41.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.5 m -135.07 173.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 178.24 9.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.98 158.21 42.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.64 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -41.59 -41.42 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 32.2 t-20 -141.32 87.12 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.67 171.38 8.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.51 128.18 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.64 106.3 14.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.515 HG12 ' CG ' ' A' ' 78' ' ' HIS . 39.4 mt -70.97 100.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -86.98 108.72 18.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 32.9 ttm -143.46 151.06 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -139.62 137.19 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 pt -137.99 154.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -118.45 137.81 52.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.9 mm -112.27 118.42 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -38.61 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.13 -17.87 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 8.6 mt -105.3 -37.31 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.82 9.47 58.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -138.55 -178.3 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 150.04 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.6 pt -114.77 149.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -127.58 153.99 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.489 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.24 157.95 45.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -171.15 90.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.57 150.36 25.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.515 ' CG ' HG12 ' A' ' 59' ' ' ILE . 9.2 m170 -99.37 48.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.11 176.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 t -82.73 -68.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -107.49 174.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -51.99 -60.44 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -43.53 -72.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.0 mt -40.16 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -36.13 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ALA . . . -39.92 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 1.5 mt-30 -39.14 -64.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.489 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.1 m -46.12 -51.17 14.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.495 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 2.1 t -48.3 -57.61 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LEU . . . -49.8 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 44.6 tp -39.33 -42.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -51.89 -53.53 39.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -66.54 -49.4 66.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -45.74 -59.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -46.54 -56.9 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.78 -49.17 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.9 mt -50.15 -53.27 28.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.11 -59.4 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.581 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.95 -64.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.581 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.1 mt -46.37 -50.29 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.71 57.48 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.7 t -117.66 -47.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -104.52 -175.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.297 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.41 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 13.3 m95 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' LEU . 14.7 p -93.0 150.46 20.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 10.6 mt -35.93 -49.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -51.85 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.0 m120 -58.44 -69.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -36.59 -40.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.5 -59.08 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -39.11 -54.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 27.1 tp -47.29 -58.67 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -50.64 -38.53 46.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -49.7 71.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.1 -30.49 59.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 13.1 m-30 -81.24 -25.68 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -83.76 -37.89 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -58.21 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.462 ' CB ' HD11 ' A' ' 41' ' ' ILE . 4.7 mm-40 -73.54 -12.09 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.21 28.25 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 61.9 mt -83.38 165.23 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 12.3 mt-30 -129.89 132.05 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.18 131.54 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.19 -176.67 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 66.8 m-85 -116.03 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 108.19 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 96.4 m-85 -89.79 121.54 32.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -109.58 108.43 18.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.1 tm0? -76.97 133.45 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.17 -169.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.54 176.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.599 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.94 162.58 37.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.95 -55.82 30.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.599 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.82 -33.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.558 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 8.4 t-20 -150.7 87.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.81 173.68 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.49 128.08 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 67.8 m-85 -90.24 115.56 27.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.87 104.21 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -88.86 109.9 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' C ' ' CD ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -115.26 154.53 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.523 ' HE1' ' CD1' ' A' ' 45' ' ' TYR . 27.0 ttm -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 m -132.24 137.64 47.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.04 152.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -115.7 136.73 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 17.9 mm -110.39 117.09 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -38.94 57.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.55 -18.09 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 7.4 mt -104.27 -37.95 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.03 57.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -138.54 -171.47 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 148.23 33.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 96' ' ' GLN . 29.7 pt -112.9 152.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -130.75 152.59 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -136.56 161.36 36.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.1 98.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 17.5 mm-40 -113.07 167.82 10.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.92 61.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.29 176.34 10.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -75.21 -62.76 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' LYS . 16.8 p30 -109.31 158.29 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 21.6 mttp -39.55 -56.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.46 -73.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -41.35 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HB1' ' A' ' 60' ' ' ALA . . . -38.13 -39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.31 -58.69 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 5.8 mt-30 -47.33 -50.3 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.87 -44.74 70.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.7 t -64.2 -63.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 ' CB ' HD22 ' A' ' 25' ' ' LEU . 53.3 tp -45.51 -36.92 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 1.2 t -56.64 -49.79 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mm? -69.71 -47.88 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 103' ' ' ILE . 41.9 t -48.69 -52.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -54.6 -51.57 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' CB ' HD12 ' A' ' 73' ' ' ILE . 3.3 mt-30 -57.86 -44.77 86.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.7 mt -55.11 -58.13 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -53.18 -57.52 10.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -49.47 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.581 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.3 mt -44.54 -48.91 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.52 53.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.59 -44.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.429 ' CD1' HG11 ' A' ' 94' ' ' VAL . 18.5 pt -108.31 168.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 39.5 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' LEU . 6.1 p -102.38 151.95 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 9.5 mt -37.4 -48.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.04 -63.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.6 m120 -49.94 -61.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -35.89 -65.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.92 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -41.86 -63.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 11.1 tpt180 -35.78 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 19.3 tp -45.41 -59.82 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.0 -30.29 46.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.44 -30.71 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.406 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 64.0 t80 -77.22 -29.68 54.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.9 m-30 -81.99 -25.5 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -85.93 -39.21 17.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -66.85 -58.91 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -69.82 -22.14 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 2.1 mtmt 86.67 15.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 10.6 mt -74.84 167.47 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 3.3 pt20 -137.38 124.84 22.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.44 125.08 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -106.47 159.09 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 83.7 m-85 -104.68 126.14 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -95.21 104.27 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 99.2 m-85 -90.41 122.45 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.5 m -113.52 109.78 19.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.7 tm0? -76.23 130.06 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.42 173.87 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.71 178.54 9.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.95 157.73 42.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 11.2 t70 -53.16 -58.38 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.6 p-80 -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.3 t30 -137.48 87.11 2.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 53' ' ' ASP . 3.0 ptp180 -117.59 170.79 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.93 127.36 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 61.6 m-85 -89.02 99.98 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.91 104.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.548 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . . . -91.26 111.05 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.63 146.82 42.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 45' ' ' TYR . 24.7 ttm -150.95 147.34 27.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 m -138.59 140.75 39.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 pt -140.32 159.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -120.77 134.8 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.478 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 18.3 mm -113.04 113.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 1.6 tt0 -57.89 -38.79 76.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -93.09 -21.61 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.42 87.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -171.64 2.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 148.72 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.5 pt -115.01 136.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -113.78 155.51 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -140.66 159.99 40.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.06 101.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -176.7 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 66.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.6 169.09 38.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.7 m -75.59 -62.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -104.2 161.03 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -44.06 -58.64 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LEU . 4.8 mptt -44.25 -73.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 85' ' ' ALA . 25.9 mt -37.9 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 60' ' ' ALA . . . -36.9 -60.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.89 -55.29 17.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.457 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -48.74 -55.33 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 92' ' ' SER . 3.6 t -52.5 -57.84 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.5 -66.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 tp -41.2 -37.96 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -56.91 -55.51 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' ARG . 48.3 t -53.2 -68.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 33.8 mtt-85 -38.7 -57.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -57.21 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 mt -40.91 -56.96 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -54.06 -51.96 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.423 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -48.16 -53.04 18.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.423 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 5.6 mt -60.41 -46.83 88.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.85 45.38 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.1 t -104.45 -44.65 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.4 pt -101.39 176.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.267 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 24.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.7 p -99.03 151.23 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 9.1 mt -37.47 -50.52 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -57.8 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 30.6 m120 -51.2 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -38.67 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.99 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -34.66 -66.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 2.1 mmm180 -43.9 -52.28 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.6 tp -40.34 -52.92 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -56.17 -44.41 79.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 6.3 mm-40 -60.98 -46.05 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.409 ' HD2' ' CD1' ' A' ' 36' ' ' PHE . 84.8 t80 -57.7 -35.77 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 14.3 m-30 -79.9 -18.62 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.38 -49.11 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' NZ ' ' OE1' ' A' ' 34' ' ' GLN . 1.7 mptt -61.77 -58.08 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 3.0 mm-40 -69.84 -14.5 62.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 26.52 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 30.0 mt -81.04 164.51 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 5.8 mt-30 -131.28 130.75 43.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.82 128.54 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.36 -175.53 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -112.01 132.77 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 104.99 16.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 87.2 m-85 -90.16 122.42 33.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 m -113.02 118.75 35.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 3.9 tt0 -80.63 117.83 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.88 -179.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.56 -179.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.569 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -53.18 59.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.6 p-80 -43.92 -40.15 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 5.3 t-20 -144.29 84.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 5.2 ptt-85 -119.34 -175.69 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.3 120.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.89 109.93 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.43 104.48 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -89.08 110.38 21.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -116.53 142.66 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.5 ttm -141.26 149.44 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.4 m -139.59 137.41 35.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.481 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.45 155.17 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.6 138.34 52.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.7 mm -112.75 119.6 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -37.76 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.5 pt20 -62.8 -17.8 61.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 8.6 mt -103.72 -38.08 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.58 10.55 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 -172.01 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 149.4 41.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.74 154.22 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -132.73 151.98 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 93' ' ' LEU . . . -137.26 158.2 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 6.3 ttm180 -170.8 99.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.34 179.23 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.9 65.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.03 -177.22 7.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -62.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -105.08 161.57 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -44.91 -56.74 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -46.39 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' ALA . 19.3 mt -42.94 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -37.19 -42.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.87 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 2.7 mt-30 -44.53 -59.74 2.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.428 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.24 -53.81 12.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 92' ' ' SER . 3.4 t -50.27 -63.03 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 93' ' ' LEU . . . -41.25 -70.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' CB ' HD23 ' A' ' 25' ' ' LEU . 53.2 tp -40.1 -38.46 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -55.24 -51.89 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 HD22 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -66.47 -44.86 81.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -52.31 -63.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -56.57 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -53.37 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -45.86 -58.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 12.4 t80 -49.79 -61.82 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -42.22 -58.42 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.6 mt -51.0 -50.58 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.14 42.48 0.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 69' ' ' LEU . 94.5 t -103.13 -39.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -112.02 164.72 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.4 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 12.8 p -94.84 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 5.3 mt -35.02 -48.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 13.9 m120 -49.95 -61.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -37.94 -65.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -38.87 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.79 -63.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 17.6 tpt180 -38.46 -58.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.7 tp -41.6 -54.95 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -58.02 -39.51 78.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.406 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 44.6 t80 -61.9 -32.4 72.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.5 m-30 -83.6 -20.91 32.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -86.71 -35.54 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -74.44 -58.45 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' CB ' HD12 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.74 -13.46 62.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.89 28.12 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 67.2 mt -83.16 165.21 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 82.7 mt-30 -129.43 132.1 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.42 134.41 4.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -120.04 161.14 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.514 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 89.0 m-85 -102.85 127.5 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.97 105.33 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 45' ' ' TYR . 15.0 m-85 -90.58 120.77 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.7 m -109.39 117.33 33.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -80.4 126.74 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.93 172.71 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 175.81 11.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.01 161.08 39.34 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 7.6 t70 -56.71 -56.38 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.0 p-80 -41.76 -37.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 29.4 t-20 -147.45 86.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -117.07 166.44 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 79' ' ' GLY . 31.8 t -140.2 157.5 45.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -111.89 112.75 24.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 78' ' ' HIS . 35.0 mt -83.66 100.89 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -86.81 109.82 19.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -115.57 142.13 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.412 ' HE2' ' CE1' ' A' ' 45' ' ' TYR . 25.6 ttm -147.27 138.88 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -129.5 136.77 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 pt -135.93 146.72 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.424 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.8 t80 -110.78 139.06 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.507 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.2 mm -112.36 120.86 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -36.87 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.4 pt20 -62.86 -19.05 63.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 11.8 mt -102.94 -37.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 8.84 57.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.8 -171.57 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.424 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.89 151.43 42.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.1 pt -116.26 144.76 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -124.19 152.99 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -140.8 157.98 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 ttp180 -171.12 97.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.03 162.56 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 59' ' ' ILE . 12.1 m170 -106.75 43.8 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.451 ' HA3' ' CB ' ' A' ' 85' ' ' ALA . . . -47.55 163.26 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -117.57 165.02 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -48.85 -51.13 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -53.12 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.6 mt -40.81 -73.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' CB ' ' HA3' ' A' ' 79' ' ' GLY . . . -38.01 -61.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.9 -40.74 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.4 -52.39 40.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.5 t -50.67 -56.72 10.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.12 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -42.91 -33.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -61.92 -55.23 31.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -66.06 -40.76 91.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' ARG . 79.0 t -54.74 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 45.5 mtm180 -38.54 -56.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.87 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.424 ' CB ' HG12 ' A' ' 103' ' ' ILE . 34.3 mt -48.62 -49.42 37.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -64.3 -55.95 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.521 ' N ' ' CD2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -40.64 -50.99 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' NE2' ' A' ' 99' ' ' HIS . 17.3 mt -67.22 -39.84 86.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . . . 112.48 44.83 0.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.8 -63.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 1.3 pt -69.64 -172.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.7 m95 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.5 p -91.11 149.78 21.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 0.6 OUTLIER -33.92 -42.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.077 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.31 -66.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 26.1 m120 -46.55 -59.27 3.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -38.23 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -41.41 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.58 -69.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' GLN . 27.4 tpt180 -36.59 -54.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 17.1 tp -43.85 -58.5 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.4 -31.84 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -72.98 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.73 -32.43 57.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.0 m-30 -81.57 -23.03 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.84 -38.47 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -58.53 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' CB ' HD12 ' A' ' 41' ' ' ILE . 5.2 mm-40 -71.37 -13.86 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.64 25.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -82.75 165.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -128.56 129.52 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.97 131.86 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.3 pt-20 -120.13 -174.08 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 22.1 m-85 -118.09 141.85 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -107.68 109.11 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.87 122.42 33.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.2 m -112.52 115.44 28.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 6.6 tm0? -78.38 122.36 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.14 174.89 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 177.79 4.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.03 162.56 36.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.69 -54.29 48.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -43.5 -36.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 53.5 t30 -147.82 86.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.9 165.57 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.32 128.58 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 12.6 m-85 -85.29 101.01 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -69.79 108.56 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -92.13 111.59 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -119.36 139.54 51.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.53 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 16.1 ttm -141.51 146.94 37.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.9 m -136.68 135.82 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -134.84 152.99 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -116.67 138.56 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.9 mm -111.62 120.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -38.19 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.511 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.1 pt20 -61.95 -20.34 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 8.2 mt -102.26 -36.4 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.08 58.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -171.87 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 151.42 40.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.24 150.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -126.3 156.8 39.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -143.71 155.34 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.82 99.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -112.74 179.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -130.18 73.9 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.51 170.5 53.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -72.78 -55.51 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.8 p30 -115.42 170.99 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -49.93 -57.21 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -44.77 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' ALA . 29.9 mt -39.47 -65.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.02 -55.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -60.1 -56.13 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -36.57 -65.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -57.61 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . 4.4 t -41.57 -59.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.62 -68.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.6 tp -41.03 -32.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.29 -54.47 40.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mm? -65.17 -40.8 94.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' ARG . 14.7 t -57.41 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -38.98 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -55.01 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.6 mt -43.25 -52.72 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.41 -59.46 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.07 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.0 mt -49.33 -49.06 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.9 56.45 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.67 -44.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.2 pt -106.84 174.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.9 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 9.7 p -126.39 154.42 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD23 ' CB ' ' A' ' 91' ' ' LEU . 7.6 mt -60.72 -38.49 85.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.75 -69.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.605 ' CG ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -52.4 -49.94 63.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 27' ' ' ASN . . . -38.26 -51.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.35 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -46.9 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' ALA . 14.9 tpt180 -35.56 -55.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 17.0 tp -44.75 -51.46 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ALA . 48.8 m-80 -62.55 -35.17 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -67.08 -31.92 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.14 -29.71 61.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.4 -24.54 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -87.57 -36.06 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -70.1 -58.44 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' CB ' HD11 ' A' ' 41' ' ' ILE . 3.2 mm-40 -70.35 -10.96 60.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.05 24.36 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 37.7 mt -83.21 165.58 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.5 mm100 -130.16 131.88 45.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.31 132.79 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.94 168.66 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -102.91 132.16 49.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 107.43 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -90.93 125.46 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -113.86 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.7 tt0 -85.04 119.61 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 m -119.24 -178.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 -179.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 156.32 43.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.59 -48.14 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -47.57 -45.71 27.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -139.14 84.62 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -119.16 -177.41 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.19 121.32 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 59.1 m-85 -80.73 111.61 17.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.8 mt -81.25 102.58 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.47 109.91 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -117.43 138.33 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 ttm -141.77 142.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 m -129.78 144.29 51.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 36' ' ' PHE . 3.7 pt -144.26 153.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.417 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 15.8 t80 -117.94 136.77 53.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 20.4 mm -112.47 114.44 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -39.17 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.1 pt20 -61.84 -14.5 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -107.27 -38.15 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.04 8.49 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -139.14 -172.67 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.417 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.54 148.26 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.443 HD11 ' CB ' ' A' ' 96' ' ' GLN . 24.9 pt -108.39 159.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -139.12 152.4 47.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -140.79 153.79 45.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 tmm_? -169.45 98.72 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -114.61 163.75 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.88 61.94 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.19 157.33 36.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -58.18 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.73 155.25 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -41.35 -47.21 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 18.6 mt -48.25 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.3 -60.25 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.04 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -44.34 -68.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.452 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -40.48 -54.83 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -49.65 -64.46 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' CYS . . . -39.36 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.488 ' CB ' HD23 ' A' ' 25' ' ' LEU . 56.4 tp -43.47 -37.88 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -75.01 -45.33 42.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 103' ' ' ILE . 60.7 t -51.4 -54.01 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.415 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 4.5 mtp85 -54.41 -59.83 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.443 ' CB ' HD11 ' A' ' 73' ' ' ILE . 4.4 mt-30 -48.22 -39.37 20.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.63 -53.12 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.408 ' CA ' HG13 ' A' ' 103' ' ' ILE . 5.5 t80 -56.71 -60.1 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.73 -61.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.584 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 9.6 mt -49.19 -50.88 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.72 50.48 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 69' ' ' LEU . 90.8 t -113.38 -34.77 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.453 ' CD1' HG12 ' A' ' 94' ' ' VAL . 17.8 pt -122.13 166.82 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.498 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.0 p -97.35 144.63 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 mt -32.0 -41.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -63.13 -67.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.5 m120 -44.98 -59.3 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -36.58 -56.67 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.05 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.77 -63.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.8 tpt180 -36.58 -59.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.3 tp -44.79 -52.55 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.34 -32.47 71.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -73.95 -31.31 62.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.36 -24.46 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -87.53 -37.4 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -68.51 -55.28 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' CB ' HD12 ' A' ' 41' ' ' ILE . 3.1 mm-40 -74.19 -17.2 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 78.82 21.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 60.6 mt -78.29 165.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.468 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 7.8 pt20 -130.92 127.2 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.31 128.6 1.91 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -112.86 -174.84 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 41.6 m-85 -117.22 139.13 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 115.06 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 50.5 m-85 -90.39 119.82 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 m -108.64 112.77 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -79.84 125.35 29.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.49 174.34 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.25 176.56 3.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.98 163.4 35.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -58.3 -55.16 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.3 p-80 -42.88 -35.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 33.7 t-20 -148.77 86.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.96 166.62 11.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.81 132.37 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -91.07 107.19 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 mt -79.37 114.57 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.74 111.33 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -119.82 143.7 47.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 23.5 ttm -148.5 149.81 32.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.6 m -137.45 145.01 42.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -143.23 158.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 7.3 t80 -118.86 134.02 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.523 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.4 mm -106.49 116.95 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -38.21 53.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.523 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.0 pt20 -60.35 -14.25 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 10.7 mt -109.54 -37.16 5.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.26 3.64 57.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.82 -172.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.55 156.8 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 96' ' ' GLN . 2.0 pt -116.33 174.64 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -150.34 161.83 41.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -152.07 159.75 43.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 4.6 tmm_? -175.75 105.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -124.72 174.7 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -119.16 110.86 17.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 141.36 16.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -52.32 -48.4 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -122.19 142.81 50.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 2.1 mtmp? -40.26 -46.55 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -57.56 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -62.52 -55.42 27.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.35 -66.72 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.58 -51.05 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.82 -64.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -43.3 -57.31 3.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 2.9 t -47.58 -60.97 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -41.29 -63.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 52.3 tp -45.9 -43.37 13.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.505 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.3 t -50.23 -53.45 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.523 ' CD1' ' OE1' ' A' ' 96' ' ' GLN . 1.7 mm? -66.78 -44.33 81.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 59.6 t -51.23 -46.15 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -59.95 -72.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.523 ' OE1' ' CD1' ' A' ' 93' ' ' LEU . 0.7 OUTLIER -43.33 -37.02 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.52 -58.12 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.6 -57.17 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -40.21 -63.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 8.2 mt -51.33 -47.38 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.44 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.28 -45.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 94' ' ' VAL . 12.7 pt -103.36 177.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 21.8 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.4 p -105.34 156.05 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 HD21 ' N ' ' A' ' 88' ' ' SER . 12.0 mt -37.85 -50.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 28' ' ' ALA . 21.3 m120 -49.52 -62.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -37.21 -61.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.54 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -45.3 -62.3 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 18.2 tpt180 -35.64 -64.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 10.6 tp -39.42 -60.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -44.5 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.28 -53.93 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -50.76 -31.25 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-30 -83.26 -21.77 33.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -84.18 -35.76 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.92 -57.95 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.36 -15.12 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 24.34 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 21.0 mt -81.68 164.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 11.0 pt20 -130.53 128.81 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.37 123.83 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -108.45 162.71 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -101.45 130.65 47.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.68 103.86 15.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 82' ' ' LYS . 13.5 m-30 -90.36 118.09 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -107.88 105.39 15.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 57.1 tt0 -75.86 137.49 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -154.78 170.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 80.15 174.19 46.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 147.15 33.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 56' ' ' ARG . 3.7 t0 -43.54 -52.44 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -44.64 -37.47 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' PRO . 10.9 m-20 -143.46 86.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 21.3 mmt180 -95.37 145.24 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.68 110.45 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 49' ' ' GLN . 55.3 m-85 -90.65 102.08 14.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.5 mt -73.44 108.08 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.26 111.01 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.5 146.9 42.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 ttm -155.33 129.71 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.2 m -120.13 137.58 54.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 pt -136.13 149.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 7.5 t80 -115.26 138.86 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.9 mm -112.66 119.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -37.61 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.5 pt20 -62.7 -16.78 58.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 11.0 mt -106.69 -31.99 8.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.85 8.63 69.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -136.35 -171.73 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 152.85 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' A' ' 96' ' ' GLN . 37.4 pt -119.43 131.25 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -110.04 153.45 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -140.37 156.69 46.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -174.46 97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 41.4 mm-40 -110.52 -174.82 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -138.93 70.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.39 163.56 54.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -60.22 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -103.71 153.34 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 50.5 mttt -40.13 -49.46 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -50.71 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ALA . 26.2 mt -38.27 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.89 -56.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.15 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -47.48 -59.47 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.486 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.91 -38.79 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 1.6 t -67.05 -60.43 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' CYS . . . -39.61 -69.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.676 ' CD2' ' HD3' ' A' ' 95' ' ' ARG . 0.9 OUTLIER -38.73 -57.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' LEU . 1.3 t -36.93 -50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.498 HD21 ' CB ' ' A' ' 75' ' ' ALA . 1.6 mm? -72.72 -58.73 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LEU . 98.2 t -48.81 -73.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.676 ' HD3' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -36.98 -50.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 10.1 mt-30 -59.47 -46.17 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' VAL . 28.0 mt -52.86 -55.52 22.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.76 -52.15 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -51.36 -56.28 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.495 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 20.3 mt -53.93 -49.99 67.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.6 49.19 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 69' ' ' LEU . 40.9 t -111.59 -47.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.8 pt -101.98 162.39 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 23.5 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -97.24 149.83 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.2 mt -34.21 -37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -68.37 -62.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' ALA . 35.8 m120 -50.07 -65.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -36.24 -55.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.02 -74.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.03 -64.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.21 -57.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 90' ' ' ALA . 13.9 tp -39.52 -55.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.32 -43.94 79.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -58.5 -50.21 74.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 59.3 t80 -53.17 -33.98 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG22 ' A' ' 64' ' ' ILE . 18.0 m-85 -84.74 -18.76 34.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -42.26 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -71.9 -50.55 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -70.29 -14.12 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 70.36 21.39 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 37.8 mt -82.83 164.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 51.8 mt-30 -128.44 129.53 46.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.54 137.11 5.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.06 164.95 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 91.9 m-85 -106.01 130.66 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -98.33 103.56 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 94.4 m-85 -90.08 119.08 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -106.67 117.94 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.5 tm0? -80.78 128.25 33.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.5 172.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.96 17.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.01 159.26 41.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.72 -55.09 33.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 2.3 p-80 -42.48 -39.84 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.548 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 37.7 t-20 -145.31 85.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.72 163.61 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.414 ' HB2' ' NE2' ' A' ' 78' ' ' HIS . 69.2 m -129.75 -172.3 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -142.13 107.82 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.1 mt -80.57 104.45 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -90.9 110.65 21.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -118.06 141.47 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE3' ' CE1' ' A' ' 45' ' ' TYR . 31.6 ttm -145.19 138.6 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.9 m -125.85 135.24 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 36' ' ' PHE . 3.7 pt -137.29 156.24 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 3.5 t80 -121.09 137.13 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.485 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 11.3 mm -113.0 122.21 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -33.19 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.478 ' CG ' HG21 ' A' ' 66' ' ' ILE . 1.5 pt20 -65.57 -9.75 29.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 21.6 mt -112.81 -37.57 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 7.34 57.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 -171.94 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.56 152.79 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 93' ' ' LEU . 37.4 pt -116.18 148.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -125.41 150.16 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -136.19 155.15 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -168.64 86.96 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -94.45 171.62 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 7.5 t-160 -124.14 45.38 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.06 -177.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -64.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -100.31 152.75 19.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 5.3 mttt -41.14 -51.01 3.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LEU . 9.7 mmpt? -52.23 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.9 mt -39.4 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.24 -64.78 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.88 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.22 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.6 m -51.02 -45.53 61.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 3.0 t -52.72 -53.84 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' LYS . . . -51.55 -69.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 38.4 tp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.13 -50.64 73.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -71.89 -54.17 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' O ' HD13 ' A' ' 103' ' ' ILE . 61.4 t -47.71 -47.15 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.418 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 60.1 mtt180 -54.19 -56.86 14.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -55.85 -50.58 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . 55.1 mt -44.26 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -45.38 -37.72 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -63.71 -57.13 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 6.1 mt -53.63 -50.45 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.11 42.26 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.523 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 2.0 m -95.52 -50.96 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.515 HG23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -99.93 -169.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.9 m95 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.6 p -94.87 153.3 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 91' ' ' LEU . 5.7 mt -36.03 -43.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 37.4 mt-10 -67.25 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 28' ' ' ALA . 29.4 m120 -41.1 -61.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' CB ' ' HG ' ' A' ' 91' ' ' LEU . . . -39.61 -57.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -69.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.68 -65.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.1 tpt180 -38.59 -58.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.6 tp -41.29 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -58.69 -41.26 85.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 5.6 mm-40 -59.8 -43.92 94.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.8 m-85 -84.53 -20.91 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.29 -30.1 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.34 -54.24 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.6 mm-40 -74.5 -15.73 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.13 19.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 17.9 mt -79.54 164.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 45.2 mt-30 -132.39 131.54 41.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.97 127.43 2.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -106.79 159.55 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 78.4 m-85 -106.82 126.63 52.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -96.06 103.94 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.9 126.06 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m -112.71 106.26 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 57.0 tt0 -75.78 136.89 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.72 173.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 81.5 176.45 51.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.02 145.13 31.0 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' HA ' ' CG ' ' A' ' 56' ' ' ARG . 37.4 t70 -44.39 -49.11 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -48.06 -33.89 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -146.99 86.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 20.2 mmt180 -96.49 145.98 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.34 112.61 15.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 27.6 m-85 -90.98 101.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 5.2 mt -71.3 112.81 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . . . -97.07 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.92 138.91 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.53 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 33.0 ttm -141.78 142.57 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.92 131.63 46.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.5 pt -132.16 154.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -120.96 135.07 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 mm -110.66 113.51 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -34.33 72.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 2.1 tt0 -54.35 -32.19 56.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' HG2' ' A' ' 68' ' ' GLN . 14.7 mt -102.04 -32.94 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.03 59.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.617 HH21 ' N ' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -128.19 -174.68 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.58 148.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.617 ' N ' HH21 ' A' ' 71' ' ' ARG . 42.2 pt -115.19 147.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 2.3 t80 -123.29 149.99 44.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.483 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -132.97 157.11 45.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -169.81 84.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.64 179.86 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -137.19 96.07 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.81 179.2 34.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -68.95 -56.99 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' ND2' HD22 ' A' ' 84' ' ' LEU . 23.3 p30 -125.8 170.71 11.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -41.14 -56.04 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -43.01 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.3 mm? -39.97 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.46 -64.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.17 -54.68 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.46 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 1.7 mt-30 -50.43 -70.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.476 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.3 m -41.22 -45.38 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 2.7 t -54.31 -60.03 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LEU . . . -41.7 -65.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.616 ' CD2' ' HD2' ' A' ' 95' ' ' ARG . 3.9 mt -38.78 -57.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' LEU . 2.7 t -37.93 -53.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.5 mm? -69.26 -50.54 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' ARG . 46.5 t -48.03 -75.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.616 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -37.17 -56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 6.2 mt-30 -51.01 -50.12 59.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 94' ' ' VAL . 34.8 mt -50.24 -53.09 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -57.99 -52.95 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -50.2 -54.15 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.579 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.432 HD11 ' NH1' ' A' ' 71' ' ' ARG . 19.7 mt -58.22 -47.94 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.34 57.97 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.7 -50.78 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.403 HG12 ' CB ' ' A' ' 97' ' ' LEU . 7.6 pt -95.63 -172.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 31' ' ' ARG . 51.4 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.0 p -93.24 146.94 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.2 mt -32.78 -43.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 19.9 mt-10 -65.8 -62.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 28' ' ' ALA . 30.2 m120 -45.86 -60.64 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ARG . . . -37.24 -65.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -72.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.57 -34.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.622 ' CG ' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -64.64 -64.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.0 tp -40.87 -57.07 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -46.74 -44.02 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -66.79 -42.38 86.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 62.5 t80 -63.29 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.0 m-30 -84.6 -24.45 29.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -87.15 -32.32 19.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.36 -55.18 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.64 -15.98 60.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt 77.44 16.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 21.5 mt -73.62 163.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.6 pm0 -133.5 127.19 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.39 134.16 4.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' SD ' ' A' ' 62' ' ' MET . 8.2 pt-20 -122.65 135.63 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 86' ' ' ALA . 10.9 m-30 -72.56 121.6 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 106.13 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 97.2 m-85 -89.95 118.06 29.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -109.53 111.2 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -73.69 131.01 41.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 m -134.18 171.34 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 176.61 13.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.97 159.58 41.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -55.18 -55.54 30.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.7 p-80 -42.04 -39.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 2.6 t30 -144.75 87.18 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 4.0 ptp180 -117.12 170.4 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 p -152.19 138.65 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -92.81 125.09 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.31 104.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -86.37 110.72 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -125.45 136.03 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 1.2 tpp -140.28 141.1 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HG3' ' A' ' 62' ' ' MET . 1.3 m -122.72 122.55 39.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pt -123.61 141.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.0 t80 -105.47 138.02 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 16.8 mm -111.17 119.6 60.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -37.84 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 7.5 pt20 -60.84 -18.36 55.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD13 ' CG2' ' A' ' 102' ' ' VAL . 8.0 mt -104.86 -37.84 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.75 6.14 57.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 -171.49 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.02 147.63 38.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.45 151.02 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 6.3 t80 -126.18 150.68 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -135.48 148.24 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -160.42 81.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 9.1 mm-40 -93.25 142.31 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 52.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.58 176.36 0.43 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -63.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.4 p30 -108.43 161.25 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -42.52 -58.91 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.65 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -40.16 -65.81 0.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 60' ' ' ALA . . . -36.88 -53.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . . . -56.84 -69.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -37.86 -38.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.489 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m -71.54 -52.36 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.9 t -45.47 -58.84 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' OH ' ' A' ' 45' ' ' TYR . . . -46.42 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.7 tp -40.06 -34.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.33 -55.73 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.2 mm? -67.87 -47.51 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 103' ' ' ILE . 43.7 t -49.71 -65.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -41.56 -56.11 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -54.26 -46.07 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.99 -55.25 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 7.7 t80 -54.54 -51.12 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.21 -59.9 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.53 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 10.2 mt -51.08 -45.16 61.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.05 50.71 0.38 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.478 ' CG2' HD13 ' A' ' 69' ' ' LEU . 74.4 t -111.26 -40.88 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CD1' HG12 ' A' ' 94' ' ' VAL . 15.1 pt -110.7 164.33 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 23' ' ' TRP . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CE3' ' OD1' ' A' ' 27' ' ' ASN . 12.0 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.48 150.8 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 2.9 mt -54.5 -48.13 72.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -60.81 -67.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' CE3' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -46.9 -58.67 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 27' ' ' ASN . . . -38.05 -61.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 2.9 tttt -40.35 -65.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.32 -57.1 7.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLN . 33.0 tpt85 -41.62 -61.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 39.8 tp -40.33 -51.72 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -57.09 -50.02 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.28 -34.02 55.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 18.9 m-85 -79.26 -24.91 42.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.68 -53.1 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -53.41 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 4.2 mm-40 -68.22 -20.16 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.6 23.46 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 24.0 mt -82.43 164.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.435 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 6.5 pt20 -125.96 126.39 44.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.21 125.42 1.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.21 -175.21 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.56 128.87 55.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 104.57 16.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 81.8 m-85 -90.59 120.28 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -107.59 114.26 28.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.58 117.72 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG23 ' CE1' ' A' ' 78' ' ' HIS . 15.4 m -120.63 176.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.25 179.24 2.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 155.14 43.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.47 -50.19 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.2 p-80 -46.0 -45.7 15.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 7.0 t-20 -139.39 84.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -119.44 -179.15 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.536 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 1.1 m -157.38 133.73 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.78 103.52 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.58 HG13 ' CD2' ' A' ' 78' ' ' HIS . 49.5 mt -72.06 106.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -87.07 109.43 19.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.16 132.96 56.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.6 ttm -137.97 141.63 40.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -129.24 141.8 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.444 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -141.88 153.73 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -119.14 137.55 53.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 20.7 mm -112.11 114.4 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -39.87 65.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.9 pt20 -60.43 -16.39 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 7.0 mt -106.7 -38.22 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.25 9.89 57.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 -173.7 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 147.82 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.6 pt -110.41 155.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.2 t80 -132.06 155.16 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -142.39 154.74 44.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -171.61 89.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 9.9 mm-40 -94.33 179.43 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.58 ' CD2' HG13 ' A' ' 59' ' ' ILE . 1.6 t-160 -131.06 49.34 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.56 -167.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -97.93 -62.18 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.05 164.74 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 10.4 mttt -42.3 -57.17 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -45.05 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -40.25 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -35.73 -66.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.46 -62.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -41.02 -66.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 4.7 m -41.6 -51.21 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.7 OUTLIER -51.62 -62.49 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 29' ' ' LYS . . . -44.0 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' A' ' 25' ' ' LEU . 48.2 tp -42.4 -35.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.55 -52.08 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -68.69 -39.57 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 103' ' ' ILE . 60.3 t -53.78 -59.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -58.15 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -46.23 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -53.74 -52.88 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.08 -59.66 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.52 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.36 -60.25 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -49.77 -47.51 50.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.49 49.91 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 69' ' ' LEU . 89.3 t -111.97 -43.79 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 94' ' ' VAL . 22.4 pt -106.86 -173.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.587 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 32.3 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 25' ' ' LEU . 15.7 p -85.84 146.07 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.4 mt -31.88 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.1 mm-40 -62.98 -68.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' O ' ' C ' ' A' ' 28' ' ' ALA . 28.0 m120 -44.71 -63.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -33.64 -68.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -46.58 -67.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -36.91 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -47.1 -54.06 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 38.5 tp -42.55 -50.33 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -61.48 -39.57 91.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.7 mm100 -64.65 -37.17 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -67.4 -35.0 78.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.7 m-85 -81.97 -19.76 39.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.37 -41.01 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -66.99 -53.81 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CB ' HD11 ' A' ' 41' ' ' ILE . 9.1 mm-40 -73.15 -17.39 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.94 19.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 HD11 ' CB ' ' A' ' 39' ' ' GLU . 66.2 mt -76.48 165.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.457 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 1.2 pt20 -129.06 127.31 41.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.86 132.82 4.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.42 162.33 19.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -104.57 127.48 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -92.14 102.44 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.442 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 92.9 m-85 -90.8 119.03 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 m -108.47 113.95 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -77.96 131.37 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -135.67 174.19 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.41 175.31 17.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.95 158.15 42.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.51 -56.87 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.2 p-80 -41.28 -39.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.587 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 6.9 t-20 -145.97 85.65 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.63 163.35 16.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.8 m -129.24 -172.52 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.59 106.93 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.94 103.98 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -91.18 110.48 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -121.16 138.15 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -141.73 148.4 38.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.6 m -137.35 140.41 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 pt -138.52 148.91 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.2 t80 -113.38 131.96 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.488 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.2 mm -105.08 113.51 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -39.02 63.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.8 pt20 -60.15 -16.18 30.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 16.9 mt -111.57 -29.45 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.52 6.27 80.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -128.29 173.13 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -136.06 143.72 44.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.6 pt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -134.03 154.92 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -142.21 152.54 43.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -168.15 88.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.18 175.61 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 3.5 t-160 -133.62 71.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.642 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.8 -172.75 33.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -80.13 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 14.2 mttt -50.59 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mttm -39.5 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 85' ' ' ALA . 35.9 mt -39.92 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.68 -66.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -39.96 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -38.15 -36.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.485 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.57 -53.51 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' SER . 3.4 t -50.24 -56.85 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.3 tp -41.51 -34.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.32 -53.29 59.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.2 mm? -66.29 -42.45 88.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.466 HG23 ' CA ' ' A' ' 28' ' ' ALA . 79.7 t -54.26 -52.56 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.43 29.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.74 -53.0 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -47.8 -54.87 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . 4.6 t80 -56.95 -37.47 71.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.595 ' CD2' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -61.47 -56.45 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.595 HD22 ' CD2' ' A' ' 99' ' ' HIS . 1.2 mm? -57.81 -47.47 82.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.48 42.46 0.54 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 69' ' ' LEU . 61.7 t -95.35 -73.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 3.3 pt -55.74 -107.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 22.5 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 4.5 p -101.96 146.24 28.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.6 mt -34.62 -37.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mt-10 -66.02 -62.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.4 m120 -50.38 -63.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -37.83 -64.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -40.96 -64.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -36.58 -59.41 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.531 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 17.7 tp -40.23 -58.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -54.2 -40.57 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -61.78 -47.46 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -56.97 -29.48 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.531 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.6 m-85 -86.99 -31.91 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -33.26 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -53.49 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.49 17.87 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 24.1 mt -78.54 165.19 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 12.7 pt20 -130.04 127.86 40.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.91 136.71 5.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.19 162.29 20.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE2' ' HE1' ' A' ' 62' ' ' MET . 89.6 m-85 -100.95 133.75 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.55 105.11 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' A' ' 82' ' ' LYS . 91.5 m-85 -90.78 123.28 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -113.09 107.62 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.69 134.76 40.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.04 -170.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.62 176.38 0.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.595 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.04 162.21 37.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.55 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.595 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.0 p-80 -42.75 -33.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.472 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.4 t-20 -151.26 86.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 173.58 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -155.28 135.1 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -95.97 113.1 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.1 mt -77.77 104.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -118.44 139.83 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.467 ' HE1' ' CE2' ' A' ' 45' ' ' TYR . 26.8 ttm -145.84 134.46 22.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 m -120.97 136.07 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 HG22 ' CE1' ' A' ' 36' ' ' PHE . 3.4 pt -135.97 157.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 4.1 t80 -120.58 139.14 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.538 ' CG2' ' CD ' ' A' ' 68' ' ' GLN . 6.1 mm -113.13 124.82 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -29.33 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.538 ' CD ' ' CG2' ' A' ' 66' ' ' ILE . 1.1 pt20 -68.36 -7.98 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 mt -116.65 -36.75 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.93 54.25 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 2.7 ptm180 -141.3 -171.25 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.422 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.48 158.23 44.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 pt -123.49 143.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -120.45 151.76 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -138.45 155.08 48.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.0 tmm_? -171.77 98.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -113.92 176.16 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -127.53 61.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.6 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.46 -168.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m -90.23 -50.61 5.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 0.762 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -129.68 171.91 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 47' ' ' TYR . 4.7 mttt -46.54 -44.95 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -72.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 85' ' ' ALA . 2.0 mm? -46.57 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.2 -54.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 82' ' ' LYS . . . -55.15 -54.16 46.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 84' ' ' LEU . 2.3 mt-30 -46.83 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -53.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -46.78 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' CB ' HD21 ' A' ' 32' ' ' LEU . . . -47.8 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 36.7 tp -40.85 -33.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -59.19 -52.55 65.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -66.96 -46.78 73.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.9 t -51.69 -56.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -45.09 -62.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -56.06 9.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CB ' HD12 ' A' ' 103' ' ' ILE . 53.8 mt -44.75 -65.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -44.28 -33.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -71.79 -61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.574 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -46.4 -52.36 13.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 125.06 47.43 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -102.41 -59.33 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.51 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -90.42 -170.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.497 ' HE3' ' OD1' ' A' ' 27' ' ' ASN . 9.3 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -128.17 146.32 50.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD2' HD23 ' A' ' 91' ' ' LEU . 9.1 mt -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.3 mm-40 -59.69 -60.18 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.497 ' OD1' ' HE3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.13 -64.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -34.08 -51.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -49.74 -56.21 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -63.0 -59.47 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -39.55 -49.37 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 30.7 tp -51.89 -58.76 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -52.51 -33.87 47.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.65 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.91 -29.65 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.97 -27.88 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.94 -36.76 41.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -71.83 -60.52 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -66.26 -15.41 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.44 23.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 23.4 mt -81.19 164.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 13.7 mt-30 -128.47 130.08 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.55 134.45 3.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.5 OUTLIER -121.54 -171.34 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 29' ' ' LYS . 47.6 m-85 -113.72 138.5 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 105.41 15.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.84 120.37 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.5 m -112.83 111.16 21.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 2.0 tt0 -79.1 126.26 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.1 172.4 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.55 177.77 14.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.1 Cg_endo -75.02 160.87 39.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.79 -52.23 66.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -44.99 -36.62 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -147.33 86.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.89 165.04 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.8 130.36 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 43.8 m-85 -89.84 105.04 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.57 105.65 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.472 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -89.42 109.55 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.91 136.93 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.434 ' HE1' ' CD1' ' A' ' 45' ' ' TYR . 21.9 ttm -141.46 137.1 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.1 m -126.79 142.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' A' ' 36' ' ' PHE . 3.9 pt -138.91 154.69 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 10.0 t80 -118.63 136.41 53.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 20.6 mm -110.6 117.91 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -38.71 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.9 pt20 -61.92 -17.95 58.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 11.0 mt -104.92 -31.85 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.04 7.2 70.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -134.78 -173.02 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.15 151.27 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.2 pt -113.34 155.96 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -133.75 154.53 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -143.61 151.73 40.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 9.1 ttm180 -166.32 92.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.06 169.32 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.66 60.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.3 168.15 30.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -69.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -102.06 162.21 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -40.47 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -72.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.1 mt -39.01 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -36.05 -67.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.475 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . . . -42.78 -65.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -35.78 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.466 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -38.03 -39.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.9 t -61.87 -58.67 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -44.63 -71.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 25' ' ' LEU . 62.7 tp -40.48 -36.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -57.65 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -65.66 -38.78 90.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 103' ' ' ILE . 57.6 t -58.32 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -39.17 -53.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -49.92 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 mt -48.76 -50.43 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.95 -55.93 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.561 ' CE1' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.48 -58.36 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 99' ' ' HIS . 68.0 mt -55.19 -48.65 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.99 52.46 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 69' ' ' LEU . 91.8 t -113.1 -39.43 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 94' ' ' VAL . 10.8 pt -113.09 175.97 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.74 -58.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.94 164.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.91 172.49 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.54 162.96 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.95 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -151.58 161.7 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 69.86 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.22 124.08 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -109.84 87.76 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -89.85 23.81 2.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.71 53.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.31 95.34 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t -129.9 149.18 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -121.55 178.73 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -75.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -91.35 -37.11 13.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -26.0 8.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.94 -22.5 77.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -94.85 -43.35 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 0.725 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -53.02 -62.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.596 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.7 108.71 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -85.64 71.53 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -115.74 95.99 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 107.99 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -94.34 144.67 25.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.0 mt -33.78 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.5 mt-10 -67.98 -57.39 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' THR . 31.3 m120 -52.08 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -38.28 -54.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 4.6 tptm -47.29 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.47 -61.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ALA . 27.0 tpt180 -38.04 -54.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 18.3 tp -47.77 -57.1 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -57.84 -35.99 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.56 -44.26 94.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.84 -33.51 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.0 m-85 -80.55 -20.83 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.97 -45.28 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -55.24 24.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.56 -19.54 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 77.34 16.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 42.9 mt -72.78 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 9.8 pt20 -126.88 126.63 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.45 132.58 3.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.8 OUTLIER -121.29 -173.53 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 62' ' ' MET . 31.3 m-85 -116.58 144.99 43.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.42 103.74 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 -90.84 118.68 30.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -112.17 111.09 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.476 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -75.53 126.43 31.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.91 172.83 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.72 177.95 12.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 162.79 36.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -58.27 -54.79 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.4 p-80 -43.08 -36.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 4.9 t30 -147.79 86.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.61 166.42 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 138.87 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -97.41 99.25 10.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.33 102.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -88.44 109.22 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -116.45 139.93 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.562 ' HE2' ' CE1' ' A' ' 45' ' ' TYR . 33.7 ttm -141.83 143.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -133.86 136.27 44.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.2 pt -136.92 150.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.407 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.2 t80 -117.96 136.38 53.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.0 mm -110.11 118.33 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -37.83 54.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 9.5 pt20 -61.11 -14.91 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 17.8 mt -110.21 -34.84 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.23 7.99 63.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.77 -178.74 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.407 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.18 153.12 47.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.5 pt -120.1 136.96 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -116.78 155.04 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -141.42 156.23 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.8 ttp180 -167.12 95.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -106.46 -174.67 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.48 60.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -172.91 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -68.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -104.25 163.42 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -44.9 -39.74 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -64.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 85' ' ' ALA . 3.9 mm? -47.5 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -35.04 -54.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.99 -65.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.1 m -45.26 -50.03 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -51.68 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 32' ' ' LEU . . . -47.75 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 38.2 tp -40.3 -33.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.08 -53.46 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.4 mm? -67.28 -39.22 86.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.27 -60.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -46.66 -47.26 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -50.78 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 mt -49.77 -52.4 32.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.25 -26.22 67.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CD2' HD23 ' A' ' 100' ' ' LEU . 1.3 t60 -74.54 -55.67 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 99' ' ' HIS . 0.9 OUTLIER -58.08 -46.87 84.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.66 57.58 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.475 ' CG2' HD12 ' A' ' 69' ' ' LEU . 95.5 t -117.04 -51.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.3 pt -95.06 -176.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -142.85 147.78 35.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.42 148.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.574 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -89.17 162.39 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -122.37 32.85 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 9.5 t -44.19 95.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' SER . . . 84.0 169.57 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.48 6.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.0 m 58.34 170.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.954 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -132.51 94.72 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t 63.4 129.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -129.02 -59.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.19 -108.38 1.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 64.15 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -159.97 79.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.68 -116.26 0.71 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.58 84.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.26 62.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.8 m -61.62 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 117.64 6.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.08 95.38 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -135.69 154.0 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 5.8 t0 58.28 109.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.53 -74.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.09 -39.25 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -40.44 -47.73 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . -65.71 -51.06 50.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.3 mt -49.78 -57.94 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -42.06 -68.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.29 116.64 1.86 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -88.92 73.93 8.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -127.03 81.48 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.049 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 19.0 p -89.74 149.82 22.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.7 mt -32.59 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -67.9 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ALA . 34.5 m120 -49.39 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -36.78 -57.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 1.4 tttt -45.36 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.76 -58.98 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' GLN . 24.9 tpt180 -36.68 -64.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.1 tp -40.44 -58.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -49.19 -45.03 43.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.4 mm-40 -59.12 -53.74 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.411 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 59.0 t80 -50.69 -33.13 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 35' ' ' TYR . 14.1 m-30 -82.06 -20.33 38.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -86.42 -40.23 15.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -59.23 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -68.33 -11.71 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.93 25.07 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -81.77 164.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 12.8 pt20 -128.94 126.79 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.75 128.82 2.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -113.88 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.59 144.12 39.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.28 103.89 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 87.7 m-85 -90.2 122.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -112.57 113.67 25.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -80.45 117.91 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.3 m -117.88 179.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.48 -179.34 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.03 155.77 42.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.31 -52.42 63.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.3 p-80 -44.66 -39.57 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 46.4 t30 -145.06 84.74 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -119.51 -175.91 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.31 122.48 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -79.81 110.77 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.2 mt -80.05 101.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.496 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -85.73 108.28 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -116.98 143.61 45.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.45 ' N ' ' SG ' ' A' ' 89' ' ' CYS . 27.3 ttm -144.99 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.3 m -132.45 139.03 47.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 pt -138.57 157.66 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -119.57 138.07 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.5 mm -111.99 118.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -38.64 52.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 12.5 pt20 -61.81 -17.9 57.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 9.4 mt -104.65 -35.52 7.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.62 9.35 61.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.77 -171.59 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 150.64 40.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 pt -113.65 155.9 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -133.32 151.42 51.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -137.18 156.89 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.21 97.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.32 176.9 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -126.63 99.98 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.81 156.21 18.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -57.3 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -117.93 161.85 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -42.27 -63.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.2 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.3 mt -39.7 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -38.06 -64.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -40.7 -63.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.418 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -38.63 -46.49 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.479 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.2 -54.12 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.1 t -45.91 -59.74 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 93' ' ' LEU . . . -44.61 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 26.6 tp -40.33 -35.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -58.14 -51.07 71.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mm? -70.07 -44.79 68.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 103' ' ' ILE . 57.7 t -51.66 -49.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.73 -51.61 66.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.88 -41.31 86.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' CB ' ' A' ' 102' ' ' VAL . 32.4 mt -58.45 -55.07 39.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 2.6 t80 -57.39 -46.45 83.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -59.76 -66.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.7 mt -45.86 -49.15 15.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.19 62.54 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 69' ' ' LEU . 76.8 t -121.32 -46.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 94' ' ' VAL . 18.0 pt -103.17 171.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.89 142.11 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.34 121.5 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.464 ' HB3' ' CB ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -61.66 -149.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.47 38.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.1 t -70.1 -40.94 74.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.35 125.06 27.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 98.2 p -94.21 172.16 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.7 p -89.67 82.37 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p 48.91 96.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -122.54 116.51 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.61 137.56 2.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -135.08 151.32 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -154.76 137.88 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.04 69.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -118.97 62.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLU . 16.3 pt-20 39.99 47.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 p -55.75 87.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' GLU . 4.1 mt-10 -72.1 99.93 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -89.53 42.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.78 152.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -93.21 109.41 20.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 -70.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -84.33 -45.47 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -26.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.69 57.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.05 -63.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -49.93 -63.93 0.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.59 114.2 3.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 4.8 m120 -81.95 68.98 8.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.609 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 26.1 m95 -117.29 101.76 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 107.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.5 p -98.97 144.91 27.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 mt -32.47 -42.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mm-40 -61.3 -66.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 32.6 m120 -47.28 -61.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -37.43 -67.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -39.96 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.93 -64.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.609 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 1.2 tmt_? -38.14 -58.19 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 90' ' ' ALA . 22.8 tp -39.71 -56.62 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.64 -42.23 78.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.0 mm-40 -58.73 -48.04 82.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.39 -33.53 65.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.4 m-85 -83.71 -20.05 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.73 -41.14 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -71.46 -53.56 13.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.8 mm-40 -71.51 -14.46 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.32 20.49 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 26.8 mt -78.91 164.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 5.1 mt-30 -125.4 128.61 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.45 127.61 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -115.53 -176.41 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' OH ' ' CD2' ' A' ' 32' ' ' LEU . 66.3 m-85 -113.79 134.84 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -99.72 105.41 17.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 78.6 m-85 -90.35 120.17 31.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -112.1 107.75 16.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.8 tt0 -74.96 130.96 40.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.92 -171.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 176.13 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.605 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.05 162.04 37.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -58.45 -56.03 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.605 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.66 -33.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 1.1 t30 -151.35 86.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.68 173.07 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -154.8 135.97 13.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 54.5 m-85 -93.91 108.59 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.64 100.97 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -85.01 107.84 17.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.15 138.34 51.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.4 ' N ' ' SG ' ' A' ' 89' ' ' CYS . 26.4 ttm -141.44 143.62 33.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.3 m -133.58 137.62 45.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 pt -138.1 149.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.418 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 9.1 t80 -113.51 136.25 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.504 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.0 mm -110.09 118.04 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -38.25 53.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.7 pt20 -61.87 -16.98 54.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 12.1 mt -106.31 -34.82 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.62 62.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.4 ' CZ ' HD23 ' A' ' 100' ' ' LEU . 1.8 ptm180 -136.44 -175.41 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -140.78 149.47 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -114.67 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -128.42 152.89 47.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.45 154.19 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -166.46 92.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -104.26 176.78 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 74.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.77 178.8 50.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.0 t -78.99 -53.21 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -119.12 157.84 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 13.6 mttp -40.81 -55.63 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 3.4 mmtt -46.96 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.0 mt -39.6 -70.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -37.31 -63.78 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' CYS . . . -42.85 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -38.79 -42.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.496 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 7.8 m -65.92 -49.12 69.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -52.14 -56.9 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 32' ' ' LEU . . . -45.54 -71.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ALA . 33.8 tp -39.61 -35.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -58.4 -55.02 40.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.5 mm? -65.62 -41.26 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.4 t -52.91 -60.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -54.57 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.93 -49.51 71.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.5 -53.53 22.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 4.5 t80 -62.0 -45.62 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.545 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.33 -62.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 15.5 mt -53.11 -47.37 68.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.96 58.73 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 69' ' ' LEU . 77.8 t -115.5 -47.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.2 pt -102.17 178.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -130.87 143.67 50.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.55 139.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.511 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.1 t80 -67.08 169.12 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.38 31.09 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.511 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -58.45 131.58 51.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.63 126.92 0.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.1 m -76.14 94.12 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.21 -58.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.77 140.1 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.94 148.77 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.052 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 -169.78 38.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.21 132.85 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.98 128.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.952 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.67 56.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -117.27 86.27 2.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -126.52 53.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.3 m -61.81 85.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.42 91.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.52 91.31 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 14' ' ' ASP . 53.1 t -135.35 155.49 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' N ' HG11 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -110.37 134.66 52.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.14 -75.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.1 -31.46 27.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.18 -21.61 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -18.71 76.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.38 -47.75 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -50.49 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.35 93.32 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -75.86 66.14 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 13.0 m95 -113.03 97.01 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.048 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -96.85 151.19 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 3.9 mt -34.81 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.66 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 28' ' ' ALA . 24.1 m120 -48.34 -60.95 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -35.3 -64.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -50.73 -55.0 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.46 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 22.2 tpt180 -38.73 -56.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 19.7 tp -42.38 -50.29 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -62.06 -39.18 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.52 -41.23 98.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.26 -34.29 77.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.44 -21.37 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.67 -39.99 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -69.5 -53.65 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.01 -12.63 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 72.76 12.04 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 26.9 mt -69.18 166.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 11.8 pt20 -128.63 125.52 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 133.16 4.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.35 164.28 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' HE1' ' A' ' 62' ' ' MET . 75.8 m-85 -107.66 137.62 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.74 110.15 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -91.44 125.05 36.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 m -117.66 105.71 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -70.85 131.18 43.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.09 173.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.93 177.72 12.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.01 156.91 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.73 -56.38 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.5 p-80 -40.94 -44.34 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.534 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.7 t30 -138.53 87.07 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 171.34 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -154.27 129.05 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.37 104.37 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.7 mt -69.14 105.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 110.63 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.77 139.2 50.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.476 ' HE1' ' CE1' ' A' ' 45' ' ' TYR . 28.7 ttm -146.87 141.57 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 m -128.76 142.16 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.5 pt -140.81 151.6 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.401 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.6 t80 -116.89 137.47 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.2 mm -112.15 117.13 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -38.58 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 21.4 pt20 -61.91 -15.38 42.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -106.82 -38.07 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.83 9.07 57.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.5 -172.05 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -142.64 150.44 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 35.4 pt -114.33 148.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -127.57 151.26 49.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -137.62 157.47 46.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -170.09 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -99.2 -178.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -135.7 60.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -163.19 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -96.65 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -106.74 162.73 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -41.06 -46.63 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -72.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -41.51 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -33.22 -57.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -38.55 -65.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 74.5 m -45.16 -57.3 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.0 OUTLIER -43.52 -55.63 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 108.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 29' ' ' LYS . . . -50.18 -67.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' ALA . 35.9 tp -39.54 -33.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.35 -54.18 44.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.7 mm? -68.4 -42.33 79.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 103' ' ' ILE . 47.8 t -54.79 -49.83 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 2.1 mtp180 -54.7 -53.18 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.92 -46.74 81.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.53 -54.43 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 4.0 t80 -54.28 -60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -44.93 -59.66 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 14.9 mt -50.2 -47.0 54.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.76 47.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.01 -38.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 94' ' ' VAL . 18.3 pt -112.76 -177.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -139.92 144.73 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -39.53 139.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.1 t80 -69.05 163.3 25.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.82 29.93 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 1.5 t -53.16 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.7 164.79 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.44 5.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.573 1.828 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.4 t -171.49 112.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -88.55 -60.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.13 123.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -154.82 143.1 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 140.46 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.5 82.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.96 118.43 11.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.5 -112.85 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 mt 49.82 -175.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLU . 15.6 pt-20 39.08 45.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -57.92 85.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' GLU . 19.4 mt-10 -150.85 56.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.64 93.08 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.84 145.24 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -126.44 171.87 10.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.2 -68.7 0.9 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.43 -40.93 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.48 -51.92 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.71 -20.75 8.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.25 -51.14 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -47.99 -63.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.543 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.2 110.3 3.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -79.22 69.89 5.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 18.7 m95 -120.95 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -95.79 148.81 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 1.4 mt -33.79 -38.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 8.2 mt-10 -66.97 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 27.6 m120 -51.4 -62.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -37.04 -48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 45' ' ' TYR . 16.8 tptt -58.57 -73.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.64 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 22.7 tpt180 -37.56 -51.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.3 tp -48.29 -58.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -52.98 -38.0 61.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.36 -48.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -57.21 -33.93 68.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.8 m-85 -83.43 -21.32 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -83.99 -38.03 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -57.12 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -68.7 -16.54 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 73.24 25.08 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 27.4 mt -82.21 165.7 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.452 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -127.44 127.31 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.44 127.7 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -115.82 -176.38 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CE1' ' NZ ' ' A' ' 29' ' ' LYS . 93.3 m-85 -109.4 156.8 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 101.93 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 93.3 m-85 -90.56 122.58 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 m -117.81 107.61 14.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.65 130.13 41.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.5 m -135.07 173.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 178.24 9.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.98 158.21 42.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.64 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -41.59 -41.42 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 32.2 t-20 -141.32 87.12 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.67 171.38 8.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.51 128.18 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.64 106.3 14.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.515 HG12 ' CG ' ' A' ' 78' ' ' HIS . 39.4 mt -70.97 100.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -86.98 108.72 18.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 32.9 ttm -143.46 151.06 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -139.62 137.19 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 pt -137.99 154.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -118.45 137.81 52.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.515 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.9 mm -112.27 118.42 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -38.61 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.13 -17.87 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 8.6 mt -105.3 -37.31 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.82 9.47 58.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -138.55 -178.3 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 150.04 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.6 pt -114.77 149.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -127.58 153.99 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.489 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.24 157.95 45.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -171.15 90.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.57 150.36 25.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.515 ' CG ' HG12 ' A' ' 59' ' ' ILE . 9.2 m170 -99.37 48.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.11 176.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 t -82.73 -68.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -107.49 174.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -51.99 -60.44 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -43.53 -72.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.0 mt -40.16 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -36.13 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ALA . . . -39.92 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 1.5 mt-30 -39.14 -64.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.489 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.1 m -46.12 -51.17 14.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.495 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 2.1 t -48.3 -57.61 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LEU . . . -49.8 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 44.6 tp -39.33 -42.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -51.89 -53.53 39.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -66.54 -49.4 66.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -45.74 -59.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -46.54 -56.9 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.78 -49.17 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.9 mt -50.15 -53.27 28.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.11 -59.4 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.581 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.95 -64.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.581 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.1 mt -46.37 -50.29 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.71 57.48 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.7 t -117.66 -47.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 pt -104.52 -175.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.57 144.11 37.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.42 137.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 1.4 t80 -72.89 158.91 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.91 31.34 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.572 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 21.2 t -40.39 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.03 -158.23 10.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.99 33.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.87 23.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.2 t -156.27 112.46 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m 62.71 124.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -178.76 150.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.38 123.7 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -161.96 152.26 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 170.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.48 -66.35 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.58 101.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 10.9 pt-20 -156.64 55.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.8 m -60.61 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.8 mm-40 -139.8 60.06 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -96.88 41.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 m -91.76 -172.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 177.34 -36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.66 -163.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ALA . 17.4 p30 -58.49 -15.87 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -37.44 -62.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.47 -58.2 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.421 1.075 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mp -47.34 -56.11 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -52.33 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.635 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.7 110.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.25 63.03 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.41 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 13.3 m95 -114.96 87.86 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' LEU . 14.7 p -93.0 150.46 20.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 10.6 mt -35.93 -49.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -51.85 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.0 m120 -58.44 -69.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -36.59 -40.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.5 -59.08 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -39.11 -54.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 27.1 tp -47.29 -58.67 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -50.64 -38.53 46.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -49.7 71.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.1 -30.49 59.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 13.1 m-30 -81.24 -25.68 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -83.76 -37.89 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -58.21 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' CB ' HD11 ' A' ' 41' ' ' ILE . 4.7 mm-40 -73.54 -12.09 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.21 28.25 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 61.9 mt -83.38 165.23 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.473 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 12.3 mt-30 -129.89 132.05 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.18 131.54 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.19 -176.67 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 66.8 m-85 -116.03 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 108.19 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 96.4 m-85 -89.79 121.54 32.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -109.58 108.43 18.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.1 tm0? -76.97 133.45 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.17 -169.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.54 176.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.599 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.94 162.58 37.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.95 -55.82 30.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.599 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.82 -33.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.558 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 8.4 t-20 -150.7 87.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.81 173.68 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.49 128.08 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 67.8 m-85 -90.24 115.56 27.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.87 104.21 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -88.86 109.9 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' C ' ' CD ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -115.26 154.53 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.523 ' HE1' ' CD1' ' A' ' 45' ' ' TYR . 27.0 ttm -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 m -132.24 137.64 47.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.435 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.04 152.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -115.7 136.73 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.496 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 17.9 mm -110.39 117.09 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -38.94 57.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.55 -18.09 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 7.4 mt -104.27 -37.95 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.03 57.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -138.54 -171.47 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 148.23 33.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 96' ' ' GLN . 29.7 pt -112.9 152.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -130.75 152.59 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -136.56 161.36 36.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.1 98.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 17.5 mm-40 -113.07 167.82 10.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.92 61.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.29 176.34 10.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -75.21 -62.76 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' LYS . 16.8 p30 -109.31 158.29 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 21.6 mttp -39.55 -56.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.46 -73.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -41.35 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' CB ' ' HB1' ' A' ' 60' ' ' ALA . . . -38.13 -39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.31 -58.69 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 5.8 mt-30 -47.33 -50.3 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.87 -44.74 70.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.7 t -64.2 -63.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 ' CB ' HD22 ' A' ' 25' ' ' LEU . 53.3 tp -45.51 -36.92 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 1.2 t -56.64 -49.79 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mm? -69.71 -47.88 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 103' ' ' ILE . 41.9 t -48.69 -52.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -54.6 -51.57 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' CB ' HD12 ' A' ' 73' ' ' ILE . 3.3 mt-30 -57.86 -44.77 86.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.7 mt -55.11 -58.13 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -53.18 -57.52 10.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -49.47 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.581 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.3 mt -44.54 -48.91 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.52 53.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 64.0 t -113.59 -44.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.429 ' CD1' HG11 ' A' ' 94' ' ' VAL . 18.5 pt -108.31 168.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -117.95 144.5 45.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.74 133.33 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.406 ' CD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -80.32 128.61 33.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.045 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.1 t -102.59 -19.6 14.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.85 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.22 158.63 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 121.23 6.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 m -76.95 -58.8 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -173.4 111.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 116.66 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.68 118.25 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.37 176.62 28.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -134.25 151.25 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -114.12 160.53 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.14 101.54 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 177.33 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' GLU . 12.4 pt-20 39.65 45.83 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -54.95 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 mm-40 -137.72 67.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.45 94.38 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -142.52 146.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.84 113.61 26.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.65 -75.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -92.28 -36.23 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.99 53.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.9 -43.56 82.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.4 mm? -47.45 -55.68 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -53.88 -62.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.64 101.66 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 3.3 m-20 -81.09 68.95 7.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 39.5 m95 -112.01 107.68 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' LEU . 6.1 p -102.38 151.95 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 9.5 mt -37.4 -48.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.04 -63.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.6 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 31.6 m120 -49.94 -61.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -35.89 -65.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.92 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -41.86 -63.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 11.1 tpt180 -35.78 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 19.3 tp -45.41 -59.82 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.0 -30.29 46.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.44 -30.71 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 64.0 t80 -77.22 -29.68 54.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.9 m-30 -81.99 -25.5 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -85.93 -39.21 17.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -66.85 -58.91 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -69.82 -22.14 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 2.1 mtmt 86.67 15.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 10.6 mt -74.84 167.47 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 3.3 pt20 -137.38 124.84 22.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.44 125.08 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -106.47 159.09 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 83.7 m-85 -104.68 126.14 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -95.21 104.27 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 99.2 m-85 -90.41 122.45 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.5 m -113.52 109.78 19.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.7 tm0? -76.23 130.06 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 m -135.42 173.87 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.71 178.54 9.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.95 157.73 42.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 11.2 t70 -53.16 -58.38 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.6 p-80 -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.3 t30 -137.48 87.11 2.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 53' ' ' ASP . 3.0 ptp180 -117.59 170.79 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.93 127.36 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 61.6 m-85 -89.02 99.98 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.91 104.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.548 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . . . -91.26 111.05 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.63 146.82 42.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 45' ' ' TYR . 24.7 ttm -150.95 147.34 27.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 m -138.59 140.75 39.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 pt -140.32 159.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -120.77 134.8 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.478 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 18.3 mm -113.04 113.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' NZ ' ' OE2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 1.6 tt0 -57.89 -38.79 76.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -93.09 -21.61 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.42 87.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -171.64 2.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.42 148.72 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.5 pt -115.01 136.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -113.78 155.51 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -140.66 159.99 40.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.06 101.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -176.7 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 66.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.6 169.09 38.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.7 m -75.59 -62.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -104.2 161.03 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -44.06 -58.64 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LEU . 4.8 mptt -44.25 -73.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 85' ' ' ALA . 25.9 mt -37.9 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 60' ' ' ALA . . . -36.9 -60.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.89 -55.29 17.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.457 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -48.74 -55.33 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 92' ' ' SER . 3.6 t -52.5 -57.84 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.5 -66.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.9 tp -41.2 -37.96 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -56.91 -55.51 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' ARG . 48.3 t -53.2 -68.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 33.8 mtt-85 -38.7 -57.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -57.21 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 mt -40.91 -56.96 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -54.06 -51.96 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.423 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -48.16 -53.04 18.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.423 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 5.6 mt -60.41 -46.83 88.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.85 45.38 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.1 t -104.45 -44.65 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.4 pt -101.39 176.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.26 149.49 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.1 133.09 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.6 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 4.2 t80 -58.63 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 m -120.73 -97.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.81 130.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.21 163.34 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.27 81.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.7 p -141.97 -56.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -173.85 166.47 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -145.25 81.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.22 -155.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -159.2 177.95 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 p -144.76 170.43 16.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.77 51.88 3.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mt -122.56 61.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -80.85 55.49 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 p -64.97 84.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 59.89 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.64 93.79 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.9 t -132.91 150.83 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -117.07 155.47 29.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 -75.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -79.32 -38.58 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -22.6 51.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.3 -44.98 32.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -56.29 -47.12 79.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -61.3 -68.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.17 103.23 2.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.5 46.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 24.6 m95 -85.29 106.39 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.7 p -99.03 151.23 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 9.1 mt -37.47 -50.52 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -57.8 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.613 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 30.6 m120 -51.2 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -38.67 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.99 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -34.66 -66.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 2.1 mmm180 -43.9 -52.28 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.6 tp -40.34 -52.92 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -56.17 -44.41 79.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 6.3 mm-40 -60.98 -46.05 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.409 ' HD2' ' CD1' ' A' ' 36' ' ' PHE . 84.8 t80 -57.7 -35.77 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 14.3 m-30 -79.9 -18.62 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.38 -49.11 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' NZ ' ' OE1' ' A' ' 34' ' ' GLN . 1.7 mptt -61.77 -58.08 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 3.0 mm-40 -69.84 -14.5 62.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 26.52 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 30.0 mt -81.04 164.51 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 5.8 mt-30 -131.28 130.75 43.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.82 128.54 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.36 -175.53 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -112.01 132.77 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 104.99 16.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 87.2 m-85 -90.16 122.42 33.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 m -113.02 118.75 35.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 3.9 tt0 -80.63 117.83 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.88 -179.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.56 -179.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.569 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -53.18 59.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.6 p-80 -43.92 -40.15 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 5.3 t-20 -144.29 84.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 5.2 ptt-85 -119.34 -175.69 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.3 120.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.89 109.93 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.2 mt -78.43 104.48 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -89.08 110.38 21.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -116.53 142.66 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.5 ttm -141.26 149.44 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.4 m -139.59 137.41 35.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.481 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.45 155.17 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.6 138.34 52.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.7 mm -112.75 119.6 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -37.76 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.5 pt20 -62.8 -17.8 61.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 8.6 mt -103.72 -38.08 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.58 10.55 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 -172.01 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 149.4 41.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.74 154.22 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -132.73 151.98 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 93' ' ' LEU . . . -137.26 158.2 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 6.3 ttm180 -170.8 99.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.34 179.23 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.9 65.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.03 -177.22 7.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -62.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -105.08 161.57 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -44.91 -56.74 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -46.39 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' ALA . 19.3 mt -42.94 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -37.19 -42.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.87 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 2.7 mt-30 -44.53 -59.74 2.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.428 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.24 -53.81 12.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 92' ' ' SER . 3.4 t -50.27 -63.03 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 93' ' ' LEU . . . -41.25 -70.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' CB ' HD23 ' A' ' 25' ' ' LEU . 53.2 tp -40.1 -38.46 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -55.24 -51.89 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 HD22 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -66.47 -44.86 81.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -52.31 -63.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -56.57 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -53.37 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -45.86 -58.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 12.4 t80 -49.79 -61.82 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -42.22 -58.42 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.6 mt -51.0 -50.58 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.14 42.48 0.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 69' ' ' LEU . 94.5 t -103.13 -39.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 pt -112.02 164.72 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' ALA . 15.3 pt-20 -116.04 141.88 47.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -40.34 148.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.613 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.4 t80 -70.77 -164.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -114.21 -99.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t 62.48 119.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.21 153.23 4.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 107.61 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.16 91.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.82 -59.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -117.76 157.22 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 156.53 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.57 -133.47 5.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.135 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.93 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -87.25 157.33 19.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 87.73 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -144.03 137.27 27.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.0 106.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.6 m -79.33 87.01 5.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' GLU . 9.7 mt-10 -155.14 93.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER 57.69 114.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p -146.8 151.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.24 162.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' CD1' ' OD1' ' A' ' 16' ' ' ASN . 1.3 tm? -123.53 -68.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.449 ' OD1' ' CD1' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -83.93 -41.49 17.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.84 -51.45 29.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.14 -16.12 32.36 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.53 -52.64 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -53.72 -50.9 64.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.95 93.55 0.91 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' ND2' ' HA2' ' A' ' 109' ' ' GLY . 1.1 m-80 -87.27 71.45 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.793 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -101.36 105.55 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.053 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 12.8 p -94.84 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 5.3 mt -35.02 -48.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.602 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 13.9 m120 -49.95 -61.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -37.94 -65.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -38.87 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.79 -63.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 17.6 tpt180 -38.46 -58.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.7 tp -41.6 -54.95 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -58.02 -39.51 78.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 44.6 t80 -61.9 -32.4 72.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.5 m-30 -83.6 -20.91 32.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -86.71 -35.54 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -74.44 -58.45 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' CB ' HD12 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.74 -13.46 62.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.89 28.12 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 67.2 mt -83.16 165.21 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 82.7 mt-30 -129.43 132.1 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.42 134.41 4.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -120.04 161.14 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.514 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 89.0 m-85 -102.85 127.5 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.97 105.33 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 45' ' ' TYR . 15.0 m-85 -90.58 120.77 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.7 m -109.39 117.33 33.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -80.4 126.74 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.93 172.71 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 175.81 11.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.01 161.08 39.34 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 7.6 t70 -56.71 -56.38 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.0 p-80 -41.76 -37.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 29.4 t-20 -147.45 86.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -117.07 166.44 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 79' ' ' GLY . 31.8 t -140.2 157.5 45.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -111.89 112.75 24.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 78' ' ' HIS . 35.0 mt -83.66 100.89 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -86.81 109.82 19.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -115.57 142.13 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.412 ' HE2' ' CE1' ' A' ' 45' ' ' TYR . 25.6 ttm -147.27 138.88 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 m -129.5 136.77 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 pt -135.93 146.72 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.424 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.8 t80 -110.78 139.06 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.507 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.2 mm -112.36 120.86 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -36.87 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.4 pt20 -62.86 -19.05 63.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 11.8 mt -102.94 -37.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 8.84 57.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.8 -171.57 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.89 151.43 42.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.1 pt -116.26 144.76 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -124.19 152.99 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -140.8 157.98 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 ttp180 -171.12 97.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.03 162.56 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 59' ' ' ILE . 12.1 m170 -106.75 43.8 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.451 ' HA3' ' CB ' ' A' ' 85' ' ' ALA . . . -47.55 163.26 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -117.57 165.02 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -48.85 -51.13 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -53.12 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.6 mt -40.81 -73.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' CB ' ' HA3' ' A' ' 79' ' ' GLY . . . -38.01 -61.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.9 -40.74 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.478 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.4 -52.39 40.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.5 t -50.67 -56.72 10.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.12 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.6 tp -42.91 -33.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -61.92 -55.23 31.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -66.06 -40.76 91.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 95' ' ' ARG . 79.0 t -54.74 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 45.5 mtm180 -38.54 -56.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.87 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.424 ' CB ' HG12 ' A' ' 103' ' ' ILE . 34.3 mt -48.62 -49.42 37.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -64.3 -55.95 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.521 ' N ' ' CD2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -40.64 -50.99 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' NE2' ' A' ' 99' ' ' HIS . 17.3 mt -67.22 -39.84 86.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . . . 112.48 44.83 0.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.8 -63.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 1.3 pt -69.64 -172.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.506 ' CG ' ' H ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -107.6 -127.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.506 ' H ' ' CG ' ' A' ' 104' ' ' GLU . . . -154.87 136.74 14.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.602 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t80 -59.37 -144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.65 27.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -86.98 -44.65 11.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.417 ' HA2' ' ND2' ' A' ' 22' ' ' ASN . . . 42.29 -165.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 98.47 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 t -106.82 153.17 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 t 63.11 129.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -120.25 152.06 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.935 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -78.0 -57.84 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.68 -74.1 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -49.41 144.75 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.41 139.5 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.02 -149.81 22.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.27 159.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -163.83 112.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 m -74.87 90.69 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -147.73 77.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.45 -145.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.25 158.8 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.11 -53.09 4.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 75.65 -158.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -67.56 -10.93 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.58 -51.56 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.46 -55.34 17.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -42.69 -57.13 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -43.29 -69.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.51 112.29 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -89.22 68.74 8.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -108.55 95.84 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.5 p -91.11 149.78 21.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 87' ' ' GLN . 0.6 OUTLIER -33.92 -42.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.077 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.31 -66.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 26.1 m120 -46.55 -59.27 3.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -38.23 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -41.41 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.58 -69.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' GLN . 27.4 tpt180 -36.59 -54.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 17.1 tp -43.85 -58.5 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.4 -31.84 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -72.98 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.73 -32.43 57.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.0 m-30 -81.57 -23.03 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.84 -38.47 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -58.53 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' CB ' HD12 ' A' ' 41' ' ' ILE . 5.2 mm-40 -71.37 -13.86 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.64 25.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -82.75 165.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -128.56 129.52 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.97 131.86 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.3 pt-20 -120.13 -174.08 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 22.1 m-85 -118.09 141.85 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -107.68 109.11 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.87 122.42 33.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.2 m -112.52 115.44 28.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 6.6 tm0? -78.38 122.36 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.14 174.89 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 177.79 4.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.03 162.56 36.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.69 -54.29 48.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -43.5 -36.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 53.5 t30 -147.82 86.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.9 165.57 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.32 128.58 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 12.6 m-85 -85.29 101.01 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -69.79 108.56 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -92.13 111.59 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -119.36 139.54 51.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.53 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 16.1 ttm -141.51 146.94 37.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.9 m -136.68 135.82 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -134.84 152.99 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -116.67 138.56 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.9 mm -111.62 120.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -38.19 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.511 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.1 pt20 -61.95 -20.34 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 8.2 mt -102.26 -36.4 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.08 58.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -171.87 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 151.42 40.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.24 150.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -126.3 156.8 39.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.465 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -143.71 155.34 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.82 99.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -112.74 179.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -130.18 73.9 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.51 170.5 53.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -72.78 -55.51 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.8 p30 -115.42 170.99 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -49.93 -57.21 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -44.77 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' ALA . 29.9 mt -39.47 -65.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.02 -55.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -60.1 -56.13 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -36.57 -65.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -57.61 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 92' ' ' SER . 4.4 t -41.57 -59.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.62 -68.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.6 tp -41.03 -32.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.29 -54.47 40.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mm? -65.17 -40.8 94.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' ARG . 14.7 t -57.41 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -38.98 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -55.01 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.6 mt -43.25 -52.72 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.41 -59.46 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.07 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.0 mt -49.33 -49.06 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.9 56.45 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.7 t -116.67 -44.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.2 pt -106.84 174.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ALA . 8.7 pt-20 -126.34 145.76 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -38.79 154.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.53 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 7.2 t80 -93.25 179.74 5.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -136.55 119.59 16.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.04 -68.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.28 -161.1 22.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.17 28.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 t 57.35 94.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -178.39 118.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -147.18 156.08 42.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.955 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.45 166.44 32.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -122.85 144.66 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -166.08 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.41 123.01 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.89 113.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.97 -7.77 10.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t 65.17 7.94 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -145.36 55.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -129.02 89.5 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -124.88 143.16 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -91.19 173.42 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -74.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -90.19 -46.08 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.26 -20.69 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.94 -44.67 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.89 -52.87 61.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.78 -66.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.605 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.61 107.29 0.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 19.6 m-20 -88.1 52.0 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -87.06 142.72 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 9.7 p -126.39 154.42 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD23 ' CB ' ' A' ' 91' ' ' LEU . 7.6 mt -60.72 -38.49 85.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.75 -69.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.605 ' CG ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -52.4 -49.94 63.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 27' ' ' ASN . . . -38.26 -51.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.35 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -46.9 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' ALA . 14.9 tpt180 -35.56 -55.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 17.0 tp -44.75 -51.46 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ALA . 48.8 m-80 -62.55 -35.17 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -67.08 -31.92 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.14 -29.71 61.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.4 -24.54 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -87.57 -36.06 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -70.1 -58.44 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' CB ' HD11 ' A' ' 41' ' ' ILE . 3.2 mm-40 -70.35 -10.96 60.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.05 24.36 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 37.7 mt -83.21 165.58 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.5 mm100 -130.16 131.88 45.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.31 132.79 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.94 168.66 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -102.91 132.16 49.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 107.43 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -90.93 125.46 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -113.86 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.7 tt0 -85.04 119.61 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 m -119.24 -178.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 -179.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 156.32 43.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.59 -48.14 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -47.57 -45.71 27.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -139.14 84.62 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -119.16 -177.41 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.19 121.32 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 59.1 m-85 -80.73 111.61 17.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.8 mt -81.25 102.58 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.47 109.91 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -117.43 138.33 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 ttm -141.77 142.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 m -129.78 144.29 51.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.464 HG21 ' CE1' ' A' ' 36' ' ' PHE . 3.7 pt -144.26 153.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.417 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 15.8 t80 -117.94 136.77 53.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 20.4 mm -112.47 114.44 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -39.17 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.1 pt20 -61.84 -14.5 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -107.27 -38.15 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.04 8.49 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -139.14 -172.67 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.54 148.26 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.443 HD11 ' CB ' ' A' ' 96' ' ' GLN . 24.9 pt -108.39 159.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -139.12 152.4 47.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -140.79 153.79 45.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 tmm_? -169.45 98.72 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -114.61 163.75 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.88 61.94 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.19 157.33 36.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -58.18 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.73 155.25 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -41.35 -47.21 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 18.6 mt -48.25 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.3 -60.25 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.04 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -44.34 -68.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.452 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -40.48 -54.83 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -49.65 -64.46 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' CYS . . . -39.36 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.488 ' CB ' HD23 ' A' ' 25' ' ' LEU . 56.4 tp -43.47 -37.88 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -75.01 -45.33 42.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 103' ' ' ILE . 60.7 t -51.4 -54.01 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.415 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 4.5 mtp85 -54.41 -59.83 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.443 ' CB ' HD11 ' A' ' 73' ' ' ILE . 4.4 mt-30 -48.22 -39.37 20.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.63 -53.12 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.408 ' CA ' HG13 ' A' ' 103' ' ' ILE . 5.5 t80 -56.71 -60.1 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.73 -61.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.584 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 9.6 mt -49.19 -50.88 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.72 50.48 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 69' ' ' LEU . 90.8 t -113.38 -34.77 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.453 ' CD1' HG12 ' A' ' 94' ' ' VAL . 17.8 pt -122.13 166.82 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 105' ' ' ALA . 3.8 pm0 -117.51 140.66 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -32.36 144.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.519 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 3.2 t80 -51.45 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 38.52 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.79 158.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.89 30.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 65.18 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.764 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.2 p -89.75 -62.6 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 54.3 p -125.71 -60.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.84 93.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 110.053 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.96 131.31 55.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 176.79 21.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -162.18 167.67 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -174.79 145.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.3 107.36 2.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -129.59 123.56 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -154.48 99.95 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.1 t -94.88 26.15 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -149.89 87.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.49 92.36 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.52 147.44 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.16 86.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 51.69 -170.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.39 -22.94 63.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -54.04 22.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -44.61 -58.5 4.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -43.19 -62.32 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -51.03 -63.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.06 107.31 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 9.1 m-20 -76.6 67.1 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -112.89 100.48 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.498 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.0 p -97.35 144.63 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 mt -32.0 -41.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -63.13 -67.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.637 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 32.5 m120 -44.98 -59.3 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -36.58 -56.67 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.05 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.77 -63.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.8 tpt180 -36.58 -59.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.3 tp -44.79 -52.55 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.34 -32.47 71.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -73.95 -31.31 62.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.36 -24.46 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -87.53 -37.4 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -68.51 -55.28 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' CB ' HD12 ' A' ' 41' ' ' ILE . 3.1 mm-40 -74.19 -17.2 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 78.82 21.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 60.6 mt -78.29 165.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.468 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 7.8 pt20 -130.92 127.2 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.31 128.6 1.91 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -112.86 -174.84 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 41.6 m-85 -117.22 139.13 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 115.06 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 50.5 m-85 -90.39 119.82 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 m -108.64 112.77 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -79.84 125.35 29.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.5 m -127.49 174.34 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.25 176.56 3.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.98 163.4 35.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -58.3 -55.16 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.3 p-80 -42.88 -35.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 33.7 t-20 -148.77 86.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.96 166.62 11.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.81 132.37 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -91.07 107.19 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 mt -79.37 114.57 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.74 111.33 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -119.82 143.7 47.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 23.5 ttm -148.5 149.81 32.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.6 m -137.45 145.01 42.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -143.23 158.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 7.3 t80 -118.86 134.02 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.523 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.4 mm -106.49 116.95 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -38.21 53.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.523 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.0 pt20 -60.35 -14.25 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 10.7 mt -109.54 -37.16 5.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.26 3.64 57.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.82 -172.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.55 156.8 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 96' ' ' GLN . 2.0 pt -116.33 174.64 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -150.34 161.83 41.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -152.07 159.75 43.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 4.6 tmm_? -175.75 105.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -124.72 174.7 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -119.16 110.86 17.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 141.36 16.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -52.32 -48.4 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -122.19 142.81 50.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 2.1 mtmp? -40.26 -46.55 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -57.56 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -62.52 -55.42 27.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.35 -66.72 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.58 -51.05 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.82 -64.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -43.3 -57.31 3.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 2.9 t -47.58 -60.97 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -41.29 -63.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 52.3 tp -45.9 -43.37 13.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.505 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.3 t -50.23 -53.45 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.523 ' CD1' ' OE1' ' A' ' 96' ' ' GLN . 1.7 mm? -66.78 -44.33 81.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 59.6 t -51.23 -46.15 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -59.95 -72.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.523 ' OE1' ' CD1' ' A' ' 93' ' ' LEU . 0.7 OUTLIER -43.33 -37.02 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.52 -58.12 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.6 -57.17 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -40.21 -63.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 8.2 mt -51.33 -47.38 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.44 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.8 t -109.28 -45.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 94' ' ' VAL . 12.7 pt -103.36 177.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.79 145.39 51.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.15 139.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.637 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 3.0 t80 -63.04 -177.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.26 30.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.569 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 5.8 t -38.94 -63.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.93 166.78 30.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.41 5.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.64 109.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.63 90.69 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -167.63 97.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p 56.58 167.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -129.39 1.93 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 62.91 124.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 p -120.96 145.93 47.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 103.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.05 58.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLU . 11.5 pt-20 40.03 52.72 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 p -55.91 87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' GLU . 5.6 mt-10 -134.8 133.32 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.58 93.87 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -130.93 150.73 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.67 93.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 52.2 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -69.53 -22.75 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.27 20.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -47.29 -58.21 6.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' GLY . 40.1 mt -40.54 -59.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -42.8 -51.92 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.604 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.08 99.14 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.5 m120 -81.24 65.51 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 21.8 m95 -109.99 104.5 13.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.4 p -105.34 156.05 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 HD21 ' N ' ' A' ' 88' ' ' SER . 12.0 mt -37.85 -50.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.611 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 21.3 m120 -49.52 -62.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -37.21 -61.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.54 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -45.3 -62.3 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 18.2 tpt180 -35.64 -64.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 10.6 tp -39.42 -60.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -44.5 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.28 -53.93 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -50.76 -31.25 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-30 -83.26 -21.77 33.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -84.18 -35.76 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.92 -57.95 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.36 -15.12 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 24.34 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 21.0 mt -81.68 164.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 11.0 pt20 -130.53 128.81 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.37 123.83 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -108.45 162.71 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -101.45 130.65 47.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.68 103.86 15.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 82' ' ' LYS . 13.5 m-30 -90.36 118.09 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -107.88 105.39 15.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 57.1 tt0 -75.86 137.49 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -154.78 170.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 80.15 174.19 46.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 147.15 33.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 56' ' ' ARG . 3.7 t0 -43.54 -52.44 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -44.64 -37.47 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' PRO . 10.9 m-20 -143.46 86.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 21.3 mmt180 -95.37 145.24 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.68 110.45 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 49' ' ' GLN . 55.3 m-85 -90.65 102.08 14.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.5 mt -73.44 108.08 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.26 111.01 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.5 146.9 42.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 ttm -155.33 129.71 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.2 m -120.13 137.58 54.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 pt -136.13 149.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 7.5 t80 -115.26 138.86 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.9 mm -112.66 119.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -37.61 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.5 pt20 -62.7 -16.78 58.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 11.0 mt -106.69 -31.99 8.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.85 8.63 69.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CZ ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -136.35 -171.73 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 152.85 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' A' ' 96' ' ' GLN . 37.4 pt -119.43 131.25 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -110.04 153.45 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -140.37 156.69 46.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -174.46 97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 41.4 mm-40 -110.52 -174.82 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -138.93 70.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.39 163.56 54.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -60.22 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -103.71 153.34 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 50.5 mttt -40.13 -49.46 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -50.71 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ALA . 26.2 mt -38.27 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.89 -56.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.71 -54.15 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -47.48 -59.47 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.486 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.91 -38.79 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 1.6 t -67.05 -60.43 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' CYS . . . -39.61 -69.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.676 ' CD2' ' HD3' ' A' ' 95' ' ' ARG . 0.9 OUTLIER -38.73 -57.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' LEU . 1.3 t -36.93 -50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.498 HD21 ' CB ' ' A' ' 75' ' ' ALA . 1.6 mm? -72.72 -58.73 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LEU . 98.2 t -48.81 -73.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.676 ' HD3' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -36.98 -50.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 10.1 mt-30 -59.47 -46.17 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' VAL . 28.0 mt -52.86 -55.52 22.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.4 ' OH ' ' O ' ' A' ' 19' ' ' LEU . 7.3 t80 -51.76 -52.15 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -51.36 -56.28 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.495 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 20.3 mt -53.93 -49.99 67.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.6 49.19 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 69' ' ' LEU . 40.9 t -111.59 -47.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.8 pt -101.98 162.39 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 4.0 pt-20 -96.48 -151.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 104' ' ' GLU . . . -111.33 132.31 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.611 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t80 -54.17 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.05 29.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.547 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -39.5 152.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.99 162.77 30.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.34 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.67 114.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -144.77 -59.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -121.75 100.86 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.61 129.19 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.12 117.79 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -158.87 156.28 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.03 164.28 35.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 94.99 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.82 158.57 21.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -132.36 85.4 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t -104.59 17.81 23.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.9 123.09 14.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -150.93 102.02 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 p -144.17 144.53 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -169.45 131.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.52 -76.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -85.12 -35.48 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.9 -51.55 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -53.8 42.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.84 -54.64 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -47.33 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.1 114.06 0.12 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -87.46 64.05 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 23.5 m95 -115.74 88.02 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -97.24 149.83 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.2 mt -34.21 -37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -68.37 -62.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' ALA . 35.8 m120 -50.07 -65.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -36.24 -55.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.02 -74.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.03 -64.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.21 -57.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 90' ' ' ALA . 13.9 tp -39.52 -55.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.32 -43.94 79.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -58.5 -50.21 74.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' OH ' ' CD1' ' A' ' 66' ' ' ILE . 59.3 t80 -53.17 -33.98 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG22 ' A' ' 64' ' ' ILE . 18.0 m-85 -84.74 -18.76 34.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -42.26 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -71.9 -50.55 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -70.29 -14.12 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 70.36 21.39 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 37.8 mt -82.83 164.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 51.8 mt-30 -128.44 129.53 46.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.54 137.11 5.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.06 164.95 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' HE3' ' A' ' 62' ' ' MET . 91.9 m-85 -106.01 130.66 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -98.33 103.56 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 94.4 m-85 -90.08 119.08 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -106.67 117.94 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.5 tm0? -80.78 128.25 33.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.5 172.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.96 17.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.01 159.26 41.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.72 -55.09 33.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 2.3 p-80 -42.48 -39.84 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.548 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 37.7 t-20 -145.31 85.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.72 163.61 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HB2' ' NE2' ' A' ' 78' ' ' HIS . 69.2 m -129.75 -172.3 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -142.13 107.82 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.1 mt -80.57 104.45 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -90.9 110.65 21.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -118.06 141.47 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE3' ' CE1' ' A' ' 45' ' ' TYR . 31.6 ttm -145.19 138.6 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.9 m -125.85 135.24 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.495 HG22 ' CE1' ' A' ' 36' ' ' PHE . 3.7 pt -137.29 156.24 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 3.5 t80 -121.09 137.13 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.485 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 11.3 mm -113.0 122.21 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -33.19 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.478 ' CG ' HG21 ' A' ' 66' ' ' ILE . 1.5 pt20 -65.57 -9.75 29.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 21.6 mt -112.81 -37.57 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 7.34 57.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 -171.94 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.56 152.79 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 93' ' ' LEU . 37.4 pt -116.18 148.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -125.41 150.16 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -136.19 155.15 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -168.64 86.96 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -94.45 171.62 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 7.5 t-160 -124.14 45.38 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.06 -177.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -64.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -100.31 152.75 19.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 5.3 mttt -41.14 -51.01 3.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LEU . 9.7 mmpt? -52.23 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.9 mt -39.4 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.24 -64.78 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.88 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.22 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.6 m -51.02 -45.53 61.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 3.0 t -52.72 -53.84 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' LYS . . . -51.55 -69.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 38.4 tp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.13 -50.64 73.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -71.89 -54.17 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' O ' HD13 ' A' ' 103' ' ' ILE . 61.4 t -47.71 -47.15 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.418 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 60.1 mtt180 -54.19 -56.86 14.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -55.85 -50.58 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . 55.1 mt -44.26 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -45.38 -37.72 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -63.71 -57.13 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.504 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 6.1 mt -53.63 -50.45 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.11 42.26 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.523 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 2.0 m -95.52 -50.96 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.515 HG23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -99.93 -169.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ALA . 1.2 pt-20 -139.73 137.57 35.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -39.4 119.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.436 ' HB3' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -58.45 -159.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.96 32.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -49.02 161.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.43 129.52 9.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 112' ' ' SER . 18.2 Cg_endo -75.01 55.66 4.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.2 t 68.62 -67.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 110' ' ' PRO . 3.4 m -164.88 100.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -173.97 108.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -176.4 165.83 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.23 167.53 25.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.61 125.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 110.043 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -175.85 158.48 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.59 150.67 19.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -157.87 26.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -72.69 73.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.2 p -94.36 86.05 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.34 67.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.48 87.36 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -77.02 -174.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -137.87 175.42 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -69.78 -9.03 53.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -48.91 -44.55 40.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.96 -27.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' ALA . 6.3 mp -85.44 -52.54 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 17' ' ' ALA . 28.8 p80 -96.21 -62.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 104.44 117.4 4.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -89.36 72.24 8.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -119.14 94.47 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.6 p -94.87 153.3 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.497 ' HG ' ' CD1' ' A' ' 91' ' ' LEU . 5.7 mt -36.03 -43.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 37.4 mt-10 -67.25 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 28' ' ' ALA . 29.4 m120 -41.1 -61.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' CB ' ' HG ' ' A' ' 91' ' ' LEU . . . -39.61 -57.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -69.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.68 -65.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.1 tpt180 -38.59 -58.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.6 tp -41.29 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -58.69 -41.26 85.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 5.6 mm-40 -59.8 -43.92 94.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.8 m-85 -84.53 -20.91 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.29 -30.1 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.34 -54.24 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.6 mm-40 -74.5 -15.73 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.13 19.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 17.9 mt -79.54 164.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 45.2 mt-30 -132.39 131.54 41.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.97 127.43 2.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -106.79 159.55 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 78.4 m-85 -106.82 126.63 52.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -96.06 103.94 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.9 126.06 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m -112.71 106.26 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 57.0 tt0 -75.78 136.89 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.5 m -154.72 173.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 81.5 176.45 51.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.02 145.13 31.0 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' HA ' ' CG ' ' A' ' 56' ' ' ARG . 37.4 t70 -44.39 -49.11 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -48.06 -33.89 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -146.99 86.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 20.2 mmt180 -96.49 145.98 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.34 112.61 15.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 27.6 m-85 -90.98 101.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 5.2 mt -71.3 112.81 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . . . -97.07 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.92 138.91 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.53 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 33.0 ttm -141.78 142.57 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.92 131.63 46.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.5 pt -132.16 154.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -120.96 135.07 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 mm -110.66 113.51 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -34.33 72.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 2.1 tt0 -54.35 -32.19 56.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' HG2' ' A' ' 68' ' ' GLN . 14.7 mt -102.04 -32.94 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.03 59.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.617 HH21 ' N ' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -128.19 -174.68 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.58 148.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.617 ' N ' HH21 ' A' ' 71' ' ' ARG . 42.2 pt -115.19 147.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 2.3 t80 -123.29 149.99 44.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.483 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -132.97 157.11 45.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -169.81 84.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.64 179.86 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -137.19 96.07 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.81 179.2 34.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -68.95 -56.99 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' ND2' HD22 ' A' ' 84' ' ' LEU . 23.3 p30 -125.8 170.71 11.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -41.14 -56.04 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -43.01 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.3 mm? -39.97 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.46 -64.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.17 -54.68 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.46 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 1.7 mt-30 -50.43 -70.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.476 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.3 m -41.22 -45.38 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 2.7 t -54.31 -60.03 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 91' ' ' LEU . . . -41.7 -65.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.616 ' CD2' ' HD2' ' A' ' 95' ' ' ARG . 3.9 mt -38.78 -57.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' LEU . 2.7 t -37.93 -53.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.5 mm? -69.26 -50.54 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' ARG . 46.5 t -48.03 -75.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.616 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -37.17 -56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 6.2 mt-30 -51.01 -50.12 59.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 94' ' ' VAL . 34.8 mt -50.24 -53.09 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -57.99 -52.95 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -50.2 -54.15 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.579 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.432 HD11 ' NH1' ' A' ' 71' ' ' ARG . 19.7 mt -58.22 -47.94 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.34 57.97 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.1 t -120.7 -50.78 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.403 HG12 ' CB ' ' A' ' 97' ' ' LEU . 7.6 pt -95.63 -172.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.77 145.67 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.7 148.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -91.59 161.18 15.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.8 32.46 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.558 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -50.3 -53.26 29.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.84 138.21 3.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.33 18.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.83 -59.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.37 110.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p 179.69 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -177.95 159.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.69 -74.83 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p 47.23 95.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -156.17 112.4 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.07 100.85 2.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.03 174.22 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' GLU . 12.3 pt-20 41.45 49.17 3.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 m -61.06 83.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -138.25 117.11 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.93 50.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -135.81 158.86 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.53 174.18 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.53 -73.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.546 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 3.8 m-20 -89.52 -45.34 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.647 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . . . -59.25 -15.99 18.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.65 -26.92 40.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.31 -44.52 7.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.647 ' CE1' ' HA ' ' A' ' 17' ' ' ALA . 5.2 p80 -95.65 -71.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.632 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 116.47 132.29 4.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -81.82 57.94 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 31' ' ' ARG . 51.4 m95 -100.74 99.88 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.965 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.0 p -93.24 146.94 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.2 mt -32.78 -43.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 19.9 mt-10 -65.8 -62.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 30.2 m120 -45.86 -60.64 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 31' ' ' ARG . . . -37.24 -65.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -72.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.57 -34.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.622 ' CG ' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -64.64 -64.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.0 tp -40.87 -57.07 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -46.74 -44.02 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -66.79 -42.38 86.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 62.5 t80 -63.29 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.0 m-30 -84.6 -24.45 29.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -87.15 -32.32 19.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.36 -55.18 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.64 -15.98 60.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt 77.44 16.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 21.5 mt -73.62 163.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.6 pm0 -133.5 127.19 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.39 134.16 4.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' SD ' ' A' ' 62' ' ' MET . 8.2 pt-20 -122.65 135.63 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 86' ' ' ALA . 10.9 m-30 -72.56 121.6 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 106.13 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 97.2 m-85 -89.95 118.06 29.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -109.53 111.2 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -73.69 131.01 41.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 m -134.18 171.34 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 176.61 13.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.97 159.58 41.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -55.18 -55.54 30.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.7 p-80 -42.04 -39.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 2.6 t30 -144.75 87.18 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 4.0 ptp180 -117.12 170.4 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.5 p -152.19 138.65 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -92.81 125.09 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.31 104.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -86.37 110.72 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -125.45 136.03 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 1.2 tpp -140.28 141.1 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HG3' ' A' ' 62' ' ' MET . 1.3 m -122.72 122.55 39.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pt -123.61 141.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.0 t80 -105.47 138.02 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 16.8 mm -111.17 119.6 60.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -37.84 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 7.5 pt20 -60.84 -18.36 55.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD13 ' CG2' ' A' ' 102' ' ' VAL . 8.0 mt -104.86 -37.84 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.75 6.14 57.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 -171.49 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.02 147.63 38.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.45 151.02 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 6.3 t80 -126.18 150.68 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -135.48 148.24 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -160.42 81.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 9.1 mm-40 -93.25 142.31 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 52.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.58 176.36 0.43 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -63.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.4 p30 -108.43 161.25 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -42.52 -58.91 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.65 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -40.16 -65.81 0.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 60' ' ' ALA . . . -36.88 -53.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . . . -56.84 -69.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -37.86 -38.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.489 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m -71.54 -52.36 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.9 t -45.47 -58.84 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' OH ' ' A' ' 45' ' ' TYR . . . -46.42 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.7 tp -40.06 -34.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.33 -55.73 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.2 mm? -67.87 -47.51 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 103' ' ' ILE . 43.7 t -49.71 -65.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -41.56 -56.11 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -54.26 -46.07 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.99 -55.25 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CZ ' ' O ' ' A' ' 20' ' ' HIS . 7.7 t80 -54.54 -51.12 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.21 -59.9 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.53 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 10.2 mt -51.08 -45.16 61.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.05 50.71 0.38 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.478 ' CG2' HD13 ' A' ' 69' ' ' LEU . 74.4 t -111.26 -40.88 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CD1' HG12 ' A' ' 94' ' ' VAL . 15.1 pt -110.7 164.33 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 23' ' ' TRP . 3.7 pt-20 -107.42 164.68 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.33 136.49 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.586 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.2 t80 -60.01 -164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' GLY . 3.3 m -112.82 -100.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 -62.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 107' ' ' SER . . . 106.03 -175.76 21.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.22 3.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.2 p -170.07 142.3 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.7 m 58.56 84.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -161.74 166.1 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.971 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -163.59 152.27 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.01 175.66 16.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.088 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 p -167.99 143.63 3.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.002 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -154.61 160.64 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.4 -144.39 21.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -171.91 33.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 4.8 tt0 -113.34 23.61 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.5 t 65.82 10.57 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.029 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mt-10 40.26 69.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' GLU . 4.2 tp10 58.59 115.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.74 145.43 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -126.34 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 87.39 -64.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.462 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 2.4 p30 -82.79 -48.51 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . -51.43 -60.85 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.48 -58.98 1.32 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.2 mt -41.72 -58.67 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -56.24 -58.08 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.21 103.99 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 4.7 m-80 -77.13 68.18 3.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CE3' ' OD1' ' A' ' 27' ' ' ASN . 12.0 m95 -108.4 125.69 52.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.48 150.8 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 88' ' ' SER . 2.9 mt -54.5 -48.13 72.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -60.81 -67.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' CE3' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -46.9 -58.67 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' N ' ' OD1' ' A' ' 27' ' ' ASN . . . -38.05 -61.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 2.9 tttt -40.35 -65.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.32 -57.1 7.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLN . 33.0 tpt85 -41.62 -61.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 39.8 tp -40.33 -51.72 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -57.09 -50.02 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.28 -34.02 55.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 18.9 m-85 -79.26 -24.91 42.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.68 -53.1 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -53.41 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 4.2 mm-40 -68.22 -20.16 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.6 23.46 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 24.0 mt -82.43 164.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 6.5 pt20 -125.96 126.39 44.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.21 125.42 1.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.21 -175.21 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.56 128.87 55.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 104.57 16.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 81.8 m-85 -90.59 120.28 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -107.59 114.26 28.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.58 117.72 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG23 ' CE1' ' A' ' 78' ' ' HIS . 15.4 m -120.63 176.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.25 179.24 2.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 155.14 43.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.47 -50.19 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.2 p-80 -46.0 -45.7 15.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 7.0 t-20 -139.39 84.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -119.44 -179.15 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.536 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 1.1 m -157.38 133.73 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.78 103.52 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.58 HG13 ' CD2' ' A' ' 78' ' ' HIS . 49.5 mt -72.06 106.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . . . -87.07 109.43 19.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.16 132.96 56.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.6 ttm -137.97 141.63 40.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -129.24 141.8 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.444 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -141.88 153.73 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -119.14 137.55 53.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 20.7 mm -112.11 114.4 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -39.87 65.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.9 pt20 -60.43 -16.39 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 7.0 mt -106.7 -38.22 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.25 9.89 57.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 -173.7 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 147.82 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.6 pt -110.41 155.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.2 t80 -132.06 155.16 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -142.39 154.74 44.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -171.61 89.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 9.9 mm-40 -94.33 179.43 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.58 ' CD2' HG13 ' A' ' 59' ' ' ILE . 1.6 t-160 -131.06 49.34 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.56 -167.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -97.93 -62.18 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.05 164.74 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 10.4 mttt -42.3 -57.17 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -45.05 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -40.25 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -35.73 -66.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.46 -62.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -41.02 -66.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.487 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 4.7 m -41.6 -51.21 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.7 OUTLIER -51.62 -62.49 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 29' ' ' LYS . . . -44.0 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' A' ' 25' ' ' LEU . 48.2 tp -42.4 -35.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.55 -52.08 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -68.69 -39.57 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 103' ' ' ILE . 60.3 t -53.78 -59.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -58.15 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -46.23 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -53.74 -52.88 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.08 -59.66 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.52 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.36 -60.25 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -49.77 -47.51 50.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.49 49.91 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 69' ' ' LEU . 89.3 t -111.97 -43.79 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 94' ' ' VAL . 22.4 pt -106.86 -173.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.14 147.17 36.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 106' ' ' TYR . . . -39.68 129.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -48.06 178.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.55 34.8 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.576 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 3.3 t -51.16 -58.1 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.98 -141.52 16.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -163.29 141.06 7.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -85.56 -58.8 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -98.36 88.87 4.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.038 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 125.16 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.23 59.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.48 105.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.72 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.56 135.28 1.93 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' GLU . 2.8 mt -104.25 -163.86 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -53.87 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -161.55 83.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.9 83.78 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.31 96.96 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -131.96 151.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.16 176.42 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -168.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -62.36 -14.29 38.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.44 -58.54 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.47 -53.91 18.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.6 mt -47.69 -65.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -40.12 -61.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.18 102.22 2.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.0 m120 -88.65 63.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.587 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 32.3 m95 -102.52 93.14 4.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 25' ' ' LEU . 15.7 p -85.84 146.07 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.4 mt -31.88 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.1 mm-40 -62.98 -68.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.661 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 28.0 m120 -44.71 -63.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -33.64 -68.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -46.58 -67.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -36.91 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -47.1 -54.06 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 38.5 tp -42.55 -50.33 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -61.48 -39.57 91.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.7 mm100 -64.65 -37.17 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -67.4 -35.0 78.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.7 m-85 -81.97 -19.76 39.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.37 -41.01 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -66.99 -53.81 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CB ' HD11 ' A' ' 41' ' ' ILE . 9.1 mm-40 -73.15 -17.39 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.94 19.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 HD11 ' CB ' ' A' ' 39' ' ' GLU . 66.2 mt -76.48 165.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.457 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 1.2 pt20 -129.06 127.31 41.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.86 132.82 4.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.42 162.33 19.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -104.57 127.48 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -92.14 102.44 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.442 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 92.9 m-85 -90.8 119.03 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 m -108.47 113.95 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -77.96 131.37 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -135.67 174.19 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.41 175.31 17.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.95 158.15 42.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.51 -56.87 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.2 p-80 -41.28 -39.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.587 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 6.9 t-20 -145.97 85.65 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.63 163.35 16.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.8 m -129.24 -172.52 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.59 106.93 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.94 103.98 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -91.18 110.48 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -121.16 138.15 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -141.73 148.4 38.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.6 m -137.35 140.41 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 pt -138.52 148.91 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.2 t80 -113.38 131.96 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.488 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 18.2 mm -105.08 113.51 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -39.02 63.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.8 pt20 -60.15 -16.18 30.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 16.9 mt -111.57 -29.45 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.52 6.27 80.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -128.29 173.13 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -136.06 143.72 44.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.6 pt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -134.03 154.92 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -142.21 152.54 43.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -168.15 88.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.18 175.61 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 3.5 t-160 -133.62 71.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.642 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.8 -172.75 33.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -80.13 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 14.2 mttt -50.59 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mttm -39.5 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 85' ' ' ALA . 35.9 mt -39.92 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.68 -66.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -39.96 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -38.15 -36.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.485 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.57 -53.51 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' SER . 3.4 t -50.24 -56.85 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.3 tp -41.51 -34.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.32 -53.29 59.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 75' ' ' ALA . 2.2 mm? -66.29 -42.45 88.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.466 HG23 ' CA ' ' A' ' 28' ' ' ALA . 79.7 t -54.26 -52.56 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.43 29.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.74 -53.0 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -47.8 -54.87 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . 4.6 t80 -56.95 -37.47 71.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.595 ' CD2' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -61.47 -56.45 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.595 HD22 ' CD2' ' A' ' 99' ' ' HIS . 1.2 mm? -57.81 -47.47 82.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.48 42.46 0.54 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 69' ' ' LEU . 61.7 t -95.35 -73.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 3.3 pt -55.74 -107.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER 172.27 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 104' ' ' GLU . . . -164.88 131.45 2.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.661 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 1.9 t80 -59.61 -176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' SER . 0.1 OUTLIER -147.55 29.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.564 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 14.9 t -39.1 -56.32 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.42 155.62 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.87 5.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.8 158.63 23.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.916 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -132.54 -58.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -126.6 -58.05 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 110.068 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.42 -61.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.48 -172.82 53.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -138.11 -68.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m 64.81 142.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.48 40.86 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.73 97.46 11.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -164.26 40.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 p -52.83 90.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' GLU . 5.0 mt-10 -166.93 -173.95 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -137.82 95.04 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.25 -168.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.55 135.55 38.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.5 mm? -100.63 -75.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -85.01 -36.39 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.81 64.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.15 -63.52 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.0 -50.79 46.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -54.39 -60.01 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.55 118.19 3.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -90.1 43.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 22.5 m95 -81.68 102.54 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 4.5 p -101.96 146.24 28.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.6 mt -34.62 -37.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mt-10 -66.02 -62.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.592 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 32.4 m120 -50.38 -63.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 91' ' ' LEU . . . -37.83 -64.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -40.96 -64.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -36.58 -59.41 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.531 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 17.7 tp -40.23 -58.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -54.2 -40.57 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -61.78 -47.46 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -56.97 -29.48 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.531 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.6 m-85 -86.99 -31.91 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -33.26 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -53.49 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.49 17.87 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' A' ' 42' ' ' GLN . 24.1 mt -78.54 165.19 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 12.7 pt20 -130.04 127.86 40.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.91 136.71 5.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.19 162.29 20.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CE2' ' HE1' ' A' ' 62' ' ' MET . 89.6 m-85 -100.95 133.75 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.55 105.11 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' A' ' 82' ' ' LYS . 91.5 m-85 -90.78 123.28 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -113.09 107.62 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.69 134.76 40.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.04 -170.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.62 176.38 0.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.595 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.04 162.21 37.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.55 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.595 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.0 p-80 -42.75 -33.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.472 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.4 t-20 -151.26 86.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 173.58 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -155.28 135.1 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -95.97 113.1 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.1 mt -77.77 104.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' HB1' ' CD1' ' A' ' 47' ' ' TYR . . . -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -118.44 139.83 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.467 ' HE1' ' CE2' ' A' ' 45' ' ' TYR . 26.8 ttm -145.84 134.46 22.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 m -120.97 136.07 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG22 ' CE1' ' A' ' 36' ' ' PHE . 3.4 pt -135.97 157.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 4.1 t80 -120.58 139.14 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.538 ' CG2' ' CD ' ' A' ' 68' ' ' GLN . 6.1 mm -113.13 124.82 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -29.33 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.538 ' CD ' ' CG2' ' A' ' 66' ' ' ILE . 1.1 pt20 -68.36 -7.98 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 mt -116.65 -36.75 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.93 54.25 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 2.7 ptm180 -141.3 -171.25 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.48 158.23 44.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 pt -123.49 143.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -120.45 151.76 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 93' ' ' LEU . . . -138.45 155.08 48.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.0 tmm_? -171.77 98.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -113.92 176.16 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -127.53 61.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.6 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.46 -168.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m -90.23 -50.61 5.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 0.762 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -129.68 171.91 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 47' ' ' TYR . 4.7 mttt -46.54 -44.95 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -72.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' O ' ' C ' ' A' ' 85' ' ' ALA . 2.0 mm? -46.57 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.2 -54.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 82' ' ' LYS . . . -55.15 -54.16 46.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 84' ' ' LEU . 2.3 mt-30 -46.83 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -53.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 92' ' ' SER . 1.8 t -46.78 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' CB ' HD21 ' A' ' 32' ' ' LEU . . . -47.8 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 36.7 tp -40.85 -33.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -59.19 -52.55 65.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mm? -66.96 -46.78 73.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.9 t -51.69 -56.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -45.09 -62.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -56.06 9.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CB ' HD12 ' A' ' 103' ' ' ILE . 53.8 mt -44.75 -65.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -44.28 -33.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -71.79 -61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.574 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -46.4 -52.36 13.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 125.06 47.43 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -102.41 -59.33 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.51 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -90.42 -170.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -135.45 141.79 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.75 141.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.592 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.3 t80 -62.29 -164.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t -117.58 -101.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.17 143.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.57 -150.41 3.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 77.47 3.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -148.05 162.68 38.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.38 -58.21 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.41 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -138.65 163.69 31.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.15 87.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.64 124.97 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -93.62 132.5 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.69 125.92 1.96 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.07 113.91 23.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' GLU . 8.6 pt-20 -147.03 55.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -59.62 85.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' GLU . 12.2 pt-20 -137.05 129.89 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.242 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -86.75 44.61 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -133.66 163.07 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.57 90.12 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 46.73 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 12.7 p30 -70.98 -29.43 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 16' ' ' ASN . . . -40.36 -59.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.79 -58.82 2.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.49 -59.66 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.74 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -41.65 -68.94 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.04 105.29 0.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.3 m120 -89.91 65.14 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.497 ' HE3' ' OD1' ' A' ' 27' ' ' ASN . 9.3 m95 -104.92 134.75 47.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -128.17 146.32 50.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD2' HD23 ' A' ' 91' ' ' LEU . 9.1 mt -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.3 mm-40 -59.69 -60.18 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.497 ' OD1' ' HE3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.13 -64.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 27' ' ' ASN . . . -34.08 -51.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -49.74 -56.21 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -63.0 -59.47 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -39.55 -49.37 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 30.7 tp -51.89 -58.76 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -52.51 -33.87 47.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.65 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.91 -29.65 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.97 -27.88 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.94 -36.76 41.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -71.83 -60.52 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -66.26 -15.41 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.44 23.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 23.4 mt -81.19 164.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 13.7 mt-30 -128.47 130.08 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.55 134.45 3.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.5 OUTLIER -121.54 -171.34 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 29' ' ' LYS . 47.6 m-85 -113.72 138.5 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 105.41 15.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.84 120.37 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.5 m -112.83 111.16 21.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 2.0 tt0 -79.1 126.26 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.1 172.4 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.55 177.77 14.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.1 Cg_endo -75.02 160.87 39.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.79 -52.23 66.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -44.99 -36.62 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -147.33 86.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.89 165.04 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.8 130.36 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 43.8 m-85 -89.84 105.04 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.57 105.65 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' HB2' ' CB ' ' A' ' 85' ' ' ALA . . . -89.42 109.55 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.91 136.93 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.434 ' HE1' ' CD1' ' A' ' 45' ' ' TYR . 21.9 ttm -141.46 137.1 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.1 m -126.79 142.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' A' ' 36' ' ' PHE . 3.9 pt -138.91 154.69 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 10.0 t80 -118.63 136.41 53.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 20.6 mm -110.6 117.91 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -38.71 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.506 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.9 pt20 -61.92 -17.95 58.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 11.0 mt -104.92 -31.85 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.04 7.2 70.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -134.78 -173.02 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.432 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.15 151.27 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.2 pt -113.34 155.96 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -133.75 154.53 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' HD21 ' A' ' 93' ' ' LEU . . . -143.61 151.73 40.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 9.1 ttm180 -166.32 92.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.06 169.32 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.66 60.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.3 168.15 30.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -69.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -102.06 162.21 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -40.47 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -72.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.1 mt -39.01 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . . . -36.05 -67.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.475 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . . . -42.78 -65.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -35.78 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.466 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -38.03 -39.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 92' ' ' SER . 2.9 t -61.87 -58.67 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 87' ' ' GLN . . . -44.63 -71.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 25' ' ' LEU . 62.7 tp -40.48 -36.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -57.65 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -65.66 -38.78 90.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 103' ' ' ILE . 57.6 t -58.32 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -39.17 -53.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -49.92 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 mt -48.76 -50.43 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.95 -55.93 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.561 ' CE1' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.48 -58.36 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 99' ' ' HIS . 68.0 mt -55.19 -48.65 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.99 52.46 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 69' ' ' LEU . 91.8 t -113.1 -39.43 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 94' ' ' VAL . 10.8 pt -113.09 175.97 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' ALA . 1.1 pt-20 -131.6 142.4 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -37.55 125.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 0.9 OUTLIER -43.38 168.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.22 28.49 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -58.94 -55.13 39.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.51 161.25 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 100.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.12 -73.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.55 -32.36 6.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 14.8 m95 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -94.34 144.67 25.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.0 mt -33.78 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.5 mt-10 -67.98 -57.39 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' OD1' HG23 ' A' ' 24' ' ' THR . 31.3 m120 -52.08 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -38.28 -54.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -47.29 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.47 -61.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ALA . 27.0 tpt180 -38.04 -54.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 90' ' ' ALA . 18.3 tp -47.77 -57.1 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -57.84 -35.99 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.56 -44.26 94.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.84 -33.51 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 21.0 m-85 -80.55 -20.83 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.97 -45.28 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -55.24 24.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.56 -19.54 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 77.34 16.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 42' ' ' GLN . 42.9 mt -72.78 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.516 ' N ' HG22 ' A' ' 41' ' ' ILE . 9.8 pt20 -126.88 126.63 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.45 132.58 3.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.8 OUTLIER -121.29 -173.53 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.671 ' OH ' HD23 ' A' ' 32' ' ' LEU . 31.3 m-85 -116.58 144.99 43.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.42 103.74 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -90.84 118.68 30.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -112.17 111.09 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.476 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -75.53 126.43 31.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.91 172.83 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.72 177.95 12.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.03 162.79 36.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -58.27 -54.79 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -43.08 -36.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 4.9 t30 -147.79 86.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.61 166.42 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 138.87 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -97.41 99.25 10.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.33 102.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.519 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -88.44 109.22 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -116.45 139.93 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.678 ' SD ' HD21 ' A' ' 32' ' ' LEU . 33.7 ttm -141.83 143.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 74' ' ' PHE . 8.5 m -133.86 136.27 44.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.2 pt -136.92 150.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.2 t80 -117.96 136.38 53.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.0 mm -110.11 118.33 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -37.83 54.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 2.8 pt20 -61.11 -14.91 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.679 HD11 HG23 ' A' ' 102' ' ' VAL . 17.8 mt -110.21 -34.84 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.23 7.99 63.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.77 -178.74 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.18 153.12 47.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' A' ' 97' ' ' LEU . 22.5 pt -120.1 136.96 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -116.78 155.04 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -141.42 156.23 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.562 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.8 ttp180 -167.12 95.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -106.46 -174.67 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.48 60.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -172.91 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -68.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -104.25 163.42 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -44.9 -39.74 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -64.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 85' ' ' ALA . 3.9 mm? -47.5 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.04 -54.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.99 -65.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.1 m -45.26 -50.03 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.653 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -51.68 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.75 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.728 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.2 tp -40.3 -33.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.08 -53.46 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.4 mm? -67.28 -39.22 86.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.5 t -56.27 -60.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -46.66 -47.26 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 100' ' ' LEU . 17.8 mt-30 -61.35 -50.78 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 73' ' ' ILE . 30.8 mt -49.77 -52.4 32.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.25 -26.22 67.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.54 -55.67 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.655 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.08 -46.87 84.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.66 57.58 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.679 HG23 HD11 ' A' ' 69' ' ' LEU . 95.5 t -117.04 -51.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.3 pt -95.06 -176.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 m95 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 19.0 p -89.74 149.82 22.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.7 mt -32.59 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -67.9 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ALA . 34.5 m120 -49.39 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.78 -57.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -45.36 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.76 -58.98 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' GLN . 24.9 tpt180 -36.68 -64.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.1 tp -40.44 -58.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -49.19 -45.03 43.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.4 mm-40 -59.12 -53.74 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 59.0 t80 -50.69 -33.13 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.651 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 14.1 m-30 -82.06 -20.33 38.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -86.42 -40.23 15.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -59.23 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -68.33 -11.71 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.93 25.07 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -81.77 164.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.8 pt20 -128.94 126.79 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.75 128.82 2.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -113.88 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.59 144.12 39.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.28 103.89 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -90.2 122.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -112.57 113.67 25.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -80.45 117.91 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 57' ' ' SER . 15.3 m -117.88 179.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.48 -179.34 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.03 155.77 42.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.31 -52.42 63.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 2.6 p80 -44.66 -39.57 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.444 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.4 t30 -145.06 84.74 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -119.51 -175.91 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -161.31 122.48 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -79.81 110.77 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 59' ' ' ILE . 11.2 mt -80.05 101.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.73 108.28 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -116.98 143.61 45.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.674 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.3 ttm -144.99 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' PHE . 24.3 m -132.45 139.03 47.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.651 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.57 157.66 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -119.57 138.07 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.5 mm -111.99 118.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -38.64 52.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 12.5 pt20 -61.81 -17.9 57.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.576 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.4 mt -104.65 -35.52 7.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.62 9.35 61.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.77 -171.59 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 150.64 40.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 pt -113.65 155.9 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -133.32 151.42 51.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -137.18 156.89 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.21 97.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.32 176.9 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -126.63 99.98 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.81 156.21 18.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -57.3 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 84' ' ' LEU . 6.1 p30 -117.93 161.85 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -42.27 -63.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.2 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' ND2' ' A' ' 81' ' ' ASN . 28.3 mt -39.7 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.06 -64.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -40.7 -63.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.418 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -38.63 -46.49 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.2 -54.12 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.686 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -45.91 -59.74 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.61 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.682 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.6 tp -40.33 -35.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -58.14 -51.07 71.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -70.07 -44.79 68.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' HD11 ' A' ' 103' ' ' ILE . 57.7 t -51.66 -49.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.73 -51.61 66.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.88 -41.31 86.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 102' ' ' VAL . 32.4 mt -58.45 -55.07 39.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 2.6 t80 -57.39 -46.45 83.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -59.76 -66.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.7 mt -45.86 -49.15 15.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.19 62.54 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 97' ' ' LEU . 76.8 t -121.32 -46.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.0 pt -103.17 171.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.61 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 26.1 m95 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.5 p -98.97 144.91 27.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.821 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.4 mt -32.47 -42.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mm-40 -61.3 -66.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.6 m120 -47.28 -61.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.43 -67.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -39.96 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.93 -64.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 1.2 tmt_? -38.14 -58.19 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.915 HD23 ' OH ' ' A' ' 45' ' ' TYR . 22.8 tp -39.71 -56.62 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.64 -42.23 78.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.0 mm-40 -58.73 -48.04 82.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.39 -33.53 65.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 20.4 m-85 -83.71 -20.05 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.73 -41.14 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -71.46 -53.56 13.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CB ' HD12 ' A' ' 41' ' ' ILE . 2.8 mm-40 -71.51 -14.46 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.32 20.49 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 39' ' ' GLU . 26.8 mt -78.91 164.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.1 mt-30 -125.4 128.61 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.45 127.61 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -115.53 -176.41 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.915 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.3 m-85 -113.79 134.84 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -99.72 105.41 17.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 78.6 m-85 -90.35 120.17 31.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -112.1 107.75 16.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.8 tt0 -74.96 130.96 40.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.92 -171.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 176.13 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.643 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.05 162.04 37.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -58.45 -56.03 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 31.4 p80 -42.66 -33.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 1.1 t30 -151.35 86.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.68 173.07 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -154.8 135.97 13.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 54.5 m-85 -93.91 108.59 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' ' 59' ' ' ILE . 10.1 mt -73.64 100.97 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.01 107.84 17.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.15 138.34 51.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.618 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.4 ttm -141.44 143.62 33.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.3 m -133.58 137.62 45.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.52 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.4 pt -138.1 149.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.414 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 9.1 t80 -113.51 136.25 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.0 mm -110.09 118.04 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -38.25 53.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.7 pt20 -61.87 -16.98 54.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' CG2' ' A' ' 102' ' ' VAL . 12.1 mt -106.31 -34.82 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.62 62.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.433 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 1.8 ptm180 -136.44 -175.41 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -140.78 149.47 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -114.67 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -128.42 152.89 47.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -138.45 154.19 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -166.46 92.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -104.26 176.78 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 74.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.77 178.8 50.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 84' ' ' LEU . 29.0 t -78.99 -53.21 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -119.12 157.84 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 13.6 mttp -40.81 -55.63 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 3.4 mmtt -46.96 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 80' ' ' SER . 28.0 mt -39.6 -70.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -37.31 -63.78 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' CYS . . . -42.85 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -38.79 -42.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 7.8 m -65.92 -49.12 69.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -52.14 -56.9 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.64 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -45.54 -71.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.821 HD22 ' HG ' ' A' ' 25' ' ' LEU . 33.8 tp -39.61 -35.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -58.4 -55.02 40.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.5 mm? -65.62 -41.26 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 28' ' ' ALA . 42.4 t -52.91 -60.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -54.57 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.93 -49.51 71.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.582 HD22 HG11 ' A' ' 102' ' ' VAL . 30.9 mt -49.5 -53.53 22.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 4.5 t80 -62.0 -45.62 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.545 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.33 -62.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 15.5 mt -53.11 -47.37 68.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.96 58.73 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 69' ' ' LEU . 77.8 t -115.5 -47.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.2 pt -102.17 178.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 13.0 m95 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' ' 27' ' ' ASN . 16.1 p -96.85 151.19 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.9 mt -34.81 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.66 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG23 ' A' ' 24' ' ' THR . 24.1 m120 -48.34 -60.95 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -35.3 -64.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -50.73 -55.0 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.46 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 22.2 tpt180 -38.73 -56.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.981 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.7 tp -42.38 -50.29 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -62.06 -39.18 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.52 -41.23 98.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.26 -34.29 77.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.44 -21.37 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.67 -39.99 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -69.5 -53.65 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.0 mt-10 -72.01 -12.63 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 72.76 12.04 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 42' ' ' GLN . 26.9 mt -69.18 166.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.8 pt20 -128.63 125.52 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 133.16 4.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.35 164.28 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.981 ' OH ' HD23 ' A' ' 32' ' ' LEU . 75.8 m-85 -107.66 137.62 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.74 110.15 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -91.44 125.05 36.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 m -117.66 105.71 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -70.85 131.18 43.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -136.09 173.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.93 177.72 12.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.01 156.91 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.73 -56.38 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.5 p-80 -40.94 -44.34 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.7 t30 -138.53 87.07 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 171.34 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.1 p -154.27 129.05 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.37 104.37 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.7 mt -69.14 105.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.67 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.71 110.63 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.77 139.2 50.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 ttm -146.87 141.57 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.444 ' HG1' ' HD2' ' A' ' 74' ' ' PHE . 82.0 m -128.76 142.16 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -140.81 151.6 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 11.6 t80 -116.89 137.47 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 69' ' ' LEU . 21.2 mm -112.15 117.13 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -38.58 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 21.4 pt20 -61.91 -15.38 42.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -106.82 -38.07 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.83 9.07 57.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.5 -172.05 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -142.64 150.44 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.481 HG13 HD12 ' A' ' 93' ' ' LEU . 35.4 pt -114.33 148.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -127.57 151.26 49.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.437 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -137.62 157.47 46.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -170.09 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -99.2 -178.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.661 ' CD2' ' N ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -135.7 60.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -163.19 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -96.65 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -106.74 162.73 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -41.06 -46.63 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -72.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -41.51 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -33.22 -57.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -38.55 -65.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.45 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 74.5 m -45.16 -57.3 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.0 OUTLIER -43.52 -55.63 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 108.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -50.18 -67.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.9 tp -39.54 -33.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.35 -54.18 44.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -68.4 -42.33 79.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.806 ' O ' HD11 ' A' ' 103' ' ' ILE . 47.8 t -54.79 -49.83 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 2.1 mtp180 -54.7 -53.18 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.92 -46.74 81.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 102' ' ' VAL . 33.8 mt -54.53 -54.43 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 4.0 t80 -54.28 -60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -44.93 -59.66 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 14.9 mt -50.2 -47.0 54.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.76 47.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 97' ' ' LEU . 79.1 t -109.01 -38.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.3 pt -112.76 -177.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 18.7 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -95.79 148.81 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.4 mt -33.79 -38.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 8.2 mt-10 -66.97 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 27.6 m120 -51.4 -62.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.04 -48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' NZ ' ' CE1' ' A' ' 45' ' ' TYR . 16.8 tptt -58.57 -73.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.64 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 22.7 tpt180 -37.56 -51.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.3 tp -48.29 -58.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -52.98 -38.0 61.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.36 -48.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -57.21 -33.93 68.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.8 m-85 -83.43 -21.32 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -83.99 -38.03 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -57.12 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -68.7 -16.54 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 73.24 25.08 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 42' ' ' GLN . 27.4 mt -82.21 165.7 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.499 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -127.44 127.31 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.44 127.7 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -115.82 -176.38 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.482 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 93.3 m-85 -109.4 156.8 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 101.93 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.628 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 93.3 m-85 -90.56 122.58 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 m -117.81 107.61 14.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.65 130.13 41.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -135.07 173.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 178.24 9.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.98 158.21 42.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.64 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -41.59 -41.42 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 32.2 t-20 -141.32 87.12 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.67 171.38 8.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.491 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -155.51 128.18 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.64 106.3 14.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.516 HG12 ' CG ' ' A' ' 78' ' ' HIS . 39.4 mt -70.97 100.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.63 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.98 108.72 18.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 32.9 ttm -143.46 151.06 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 18.0 m -139.62 137.19 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.3 pt -137.99 154.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -118.45 137.81 52.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.574 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.9 mm -112.27 118.42 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -38.61 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.13 -17.87 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -105.3 -37.31 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.82 9.47 58.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -138.55 -178.3 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 150.04 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 93' ' ' LEU . 26.6 pt -114.77 149.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -127.58 153.99 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.489 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.24 157.95 45.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -171.15 90.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.57 150.36 25.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 59' ' ' ILE . 9.2 m170 -99.37 48.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.11 176.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 t -82.73 -68.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -107.49 174.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -51.99 -60.44 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -43.53 -72.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.0 mt -40.16 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.13 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.628 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.92 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 1.5 mt-30 -39.14 -64.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.1 m -46.12 -51.17 14.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.771 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -48.3 -57.61 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -49.8 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.705 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.6 tp -39.33 -42.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -51.89 -53.53 39.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -66.54 -49.4 66.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 23.9 t -45.74 -59.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -46.54 -56.9 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.78 -49.17 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.726 HD22 HG11 ' A' ' 102' ' ' VAL . 31.9 mt -50.15 -53.27 28.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.11 -59.4 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.581 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.95 -64.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.581 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.1 mt -46.37 -50.29 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.71 57.48 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.726 HG11 HD22 ' A' ' 97' ' ' LEU . 78.7 t -117.66 -47.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.2 pt -104.52 -175.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.297 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.428 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 13.3 m95 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' LEU . 14.7 p -93.0 150.46 20.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 87' ' ' GLN . 10.6 mt -35.93 -49.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -51.85 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.0 m120 -58.44 -69.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -36.59 -40.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.5 -59.08 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -39.11 -54.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.771 HD23 ' OH ' ' A' ' 45' ' ' TYR . 27.1 tp -47.29 -58.67 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -50.64 -38.53 46.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -49.7 71.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' OH ' HD12 ' A' ' 66' ' ' ILE . 56.3 t80 -55.1 -30.49 59.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 13.1 m-30 -81.24 -25.68 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -83.76 -37.89 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -58.21 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.54 -12.09 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.21 28.25 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 42' ' ' GLN . 61.9 mt -83.38 165.23 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.477 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.3 mt-30 -129.89 132.05 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.18 131.54 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.19 -176.67 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.771 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.8 m-85 -116.03 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 108.19 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 96.4 m-85 -89.79 121.54 32.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -109.58 108.43 18.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.1 tm0? -76.97 133.45 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 30.5 m -138.17 -169.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.54 176.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.641 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.94 162.58 37.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.95 -55.82 30.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.641 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 31.6 p80 -42.82 -33.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.558 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 8.4 t-20 -150.7 87.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.81 173.68 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -156.49 128.08 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 67.8 m-85 -90.24 115.56 27.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.87 104.21 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB3' ' C ' ' A' ' 85' ' ' ALA . . . -88.86 109.9 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' C ' ' CD ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -115.26 154.53 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.0 ttm -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 74' ' ' PHE . 19.2 m -132.24 137.64 47.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.04 152.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -115.7 136.73 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 ' HG ' ' A' ' 69' ' ' LEU . 17.9 mm -110.39 117.09 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -38.94 57.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.55 -18.09 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -104.27 -37.95 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.03 57.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 2.2 ptm180 -138.54 -171.47 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 148.23 33.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.7 pt -112.9 152.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -130.75 152.59 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -136.56 161.36 36.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.1 98.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 17.5 mm-40 -113.07 167.82 10.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.92 61.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.29 176.34 10.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -75.21 -62.76 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' LYS . 16.8 p30 -109.31 158.29 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 21.6 mttp -39.55 -56.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -43.46 -73.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 84' ' ' LEU . 24.7 mt -41.35 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.13 -39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -66.31 -58.69 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.798 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.8 mt-30 -47.33 -50.3 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.87 -44.74 70.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -64.2 -63.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.68 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.3 tp -45.51 -36.92 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 1.2 t -56.64 -49.79 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -69.71 -47.88 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 28' ' ' ALA . 41.9 t -48.69 -52.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -54.6 -51.57 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.86 -44.77 86.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.774 HD22 HG11 ' A' ' 102' ' ' VAL . 31.7 mt -55.11 -58.13 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -53.18 -57.52 10.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -49.47 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.581 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.3 mt -44.54 -48.91 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.52 53.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.774 HG11 HD22 ' A' ' 97' ' ' LEU . 64.0 t -113.59 -44.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.5 pt -108.31 168.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 39.5 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' LEU . 6.1 p -102.38 151.95 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.5 mt -37.4 -48.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.04 -63.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.6 m120 -49.94 -61.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -35.89 -65.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.92 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -41.86 -63.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 11.1 tpt180 -35.78 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.844 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.3 tp -45.41 -59.82 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.0 -30.29 46.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.44 -30.71 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' OH ' HD12 ' A' ' 66' ' ' ILE . 64.0 t80 -77.22 -29.68 54.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.9 m-30 -81.99 -25.5 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -85.93 -39.21 17.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -66.85 -58.91 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -69.82 -22.14 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 2.1 mtmt 86.67 15.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.6 mt -74.84 167.47 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.536 ' N ' HG22 ' A' ' 41' ' ' ILE . 3.3 pt20 -137.38 124.84 22.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.44 125.08 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -106.47 159.09 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.844 ' OH ' HD23 ' A' ' 32' ' ' LEU . 83.7 m-85 -104.68 126.14 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -95.21 104.27 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 99.2 m-85 -90.41 122.45 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.5 m -113.52 109.78 19.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.7 tm0? -76.23 130.06 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -135.42 173.87 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.71 178.54 9.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.95 157.73 42.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 11.2 t70 -53.16 -58.38 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.6 p-80 -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.3 t30 -137.48 87.11 2.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 53' ' ' ASP . 3.0 ptp180 -117.59 170.79 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -152.93 127.36 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 61.6 m-85 -89.02 99.98 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.91 104.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.26 111.05 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.63 146.82 42.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.53 ' SD ' HD21 ' A' ' 32' ' ' LEU . 24.7 ttm -150.95 147.34 27.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.478 HG23 ' HB2' ' A' ' 74' ' ' PHE . 26.6 m -138.59 140.75 39.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 pt -140.32 159.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 10.6 t80 -120.77 134.8 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.565 HD12 ' OH ' ' A' ' 35' ' ' TYR . 18.3 mm -113.04 113.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.681 ' HG2' HD23 ' A' ' 69' ' ' LEU . 1.6 tt0 -57.89 -38.79 76.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HG2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -93.09 -21.61 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.42 87.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -171.64 2.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.42 148.72 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 93' ' ' LEU . 12.5 pt -115.01 136.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -113.78 155.51 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -140.66 159.99 40.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.06 101.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -176.7 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 66.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.6 169.09 38.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.7 m -75.59 -62.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -104.2 161.03 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -44.06 -58.64 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LEU . 4.8 mptt -44.25 -73.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 85' ' ' ALA . 25.9 mt -37.9 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.9 -60.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -50.89 -55.29 17.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.529 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -48.74 -55.33 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.685 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.6 t -52.5 -57.84 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -44.5 -66.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.9 tp -41.2 -37.96 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -56.91 -55.51 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.3 t -53.2 -68.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 33.8 mtt-85 -38.7 -57.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -57.21 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 mt -40.91 -56.96 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -54.06 -51.96 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.423 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -48.16 -53.04 18.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 69' ' ' LEU . 5.6 mt -60.41 -46.83 88.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.85 45.38 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 69' ' ' LEU . 18.1 t -104.45 -44.65 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.437 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.4 pt -101.39 176.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.267 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 24.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.478 HG23 ' OD1' ' A' ' 27' ' ' ASN . 8.7 p -99.03 151.23 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.964 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.1 mt -37.47 -50.52 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -57.8 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' HG23 ' A' ' 24' ' ' THR . 30.6 m120 -51.2 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.67 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.99 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -34.66 -66.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 2.1 mmm180 -43.9 -52.28 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.6 tp -40.34 -52.92 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -56.17 -44.41 79.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 6.3 mm-40 -60.98 -46.05 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.578 ' OH ' HD12 ' A' ' 66' ' ' ILE . 84.8 t80 -57.7 -35.77 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 14.3 m-30 -79.9 -18.62 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.38 -49.11 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -61.77 -58.08 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 3.0 mm-40 -69.84 -14.5 62.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 26.52 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 42' ' ' GLN . 30.0 mt -81.04 164.51 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.8 mt-30 -131.28 130.75 43.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.82 128.54 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.36 -175.53 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -112.01 132.77 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 104.99 16.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -90.16 122.42 33.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 m -113.02 118.75 35.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 5.3 tt0 -80.63 117.83 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 57' ' ' SER . 15.8 m -117.88 -179.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.56 -179.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.447 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -53.18 59.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 2.8 p80 -43.92 -40.15 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 t-20 -144.29 84.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 5.2 ptt-85 -119.34 -175.69 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -162.3 120.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.89 109.93 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 HG11 ' A' ' 50' ' ' VAL . 14.2 mt -78.43 104.48 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.08 110.38 21.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -116.53 142.66 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.474 ' SD ' HD21 ' A' ' 32' ' ' LEU . 32.5 ttm -141.26 149.44 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 17.4 m -139.59 137.41 35.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.617 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.45 155.17 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.6 138.34 52.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.7 mm -112.75 119.6 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -37.76 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.5 pt20 -62.8 -17.8 61.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -103.72 -38.08 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.58 10.55 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 -172.01 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 149.4 41.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.74 154.22 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -132.73 151.98 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -137.26 158.2 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 6.3 ttm180 -170.8 99.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.34 179.23 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.9 65.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.03 -177.22 7.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -62.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -105.08 161.57 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -44.91 -56.74 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 1.8 tptt -46.39 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 84' ' ' LEU . 19.3 mt -42.94 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -37.19 -42.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -65.51 -56.87 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.964 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 mt-30 -44.53 -59.74 2.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.24 -53.81 12.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.728 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.27 -63.03 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -41.25 -70.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.588 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.2 tp -40.1 -38.46 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -55.24 -51.89 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.47 -44.86 81.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 28' ' ' ALA . 16.0 t -52.31 -63.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -56.57 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -53.37 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -45.86 -58.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 12.4 t80 -49.79 -61.82 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -42.22 -58.42 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.6 mt -51.0 -50.58 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.14 42.48 0.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.13 -39.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.6 pt -112.02 164.72 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.4 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 12.8 p -94.84 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.92 ' HG ' HD22 ' A' ' 91' ' ' LEU . 5.3 mt -35.02 -48.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' OD1' HG23 ' A' ' 24' ' ' THR . 13.9 m120 -49.95 -61.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.94 -65.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -38.87 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.79 -63.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 17.6 tpt180 -38.46 -58.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.785 HD23 ' OH ' ' A' ' 45' ' ' TYR . 28.7 tp -41.6 -54.95 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -58.02 -39.51 78.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.4 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 44.6 t80 -61.9 -32.4 72.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.5 m-30 -83.6 -20.91 32.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -86.71 -35.54 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -74.44 -58.45 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -13.46 62.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.89 28.12 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 42' ' ' GLN . 67.2 mt -83.16 165.21 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 41' ' ' ILE . 82.7 mt-30 -129.43 132.1 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.42 134.41 4.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -120.04 161.14 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.785 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.0 m-85 -102.85 127.5 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.97 105.33 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 45' ' ' TYR . 15.0 m-85 -90.58 120.77 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.7 m -109.39 117.33 33.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -80.4 126.74 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.93 172.71 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 175.81 11.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.01 161.08 39.34 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 7.6 t70 -56.71 -56.38 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -41.76 -37.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.473 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 29.4 t-20 -147.45 86.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -117.07 166.44 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 79' ' ' GLY . 31.8 t -140.2 157.5 45.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -111.89 112.75 24.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 78' ' ' HIS . 35.0 mt -83.66 100.89 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.586 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -86.81 109.82 19.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -115.57 142.13 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ttm -147.27 138.88 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' ' 74' ' ' PHE . 15.2 m -129.5 136.77 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.2 pt -135.93 146.72 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.8 t80 -110.78 139.06 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -112.36 120.86 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -36.87 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.4 pt20 -62.86 -19.05 63.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 66' ' ' ILE . 11.8 mt -102.94 -37.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 8.84 57.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.8 -171.57 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.89 151.43 42.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.1 pt -116.26 144.76 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.589 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -124.19 152.99 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.476 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.8 157.98 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 ttp180 -171.12 97.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.03 162.56 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 59' ' ' ILE . 12.1 m170 -106.75 43.8 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.573 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . -47.55 163.26 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -117.57 165.02 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -48.85 -51.13 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -53.12 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.6 mt -40.81 -73.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.01 -61.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.9 -40.74 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.623 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.4 -52.39 40.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.733 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.5 t -50.67 -56.72 10.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.12 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.92 HD22 ' HG ' ' A' ' 25' ' ' LEU . 29.6 tp -42.91 -33.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -61.92 -55.23 31.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.06 -40.76 91.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 103' ' ' ILE . 79.0 t -54.74 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 45.5 mtm180 -38.54 -56.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -54.58 -50.87 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.625 HD22 HG11 ' A' ' 102' ' ' VAL . 34.3 mt -48.62 -49.42 37.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -64.3 -55.95 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.521 ' N ' ' CD2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -40.64 -50.99 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' NE2' ' A' ' 99' ' ' HIS . 17.3 mt -67.22 -39.84 86.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . . . 112.48 44.83 0.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.625 HG11 HD22 ' A' ' 97' ' ' LEU . 88.0 t -98.8 -63.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HG13 ' A' ' 94' ' ' VAL . 1.3 pt -69.64 -172.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.7 m95 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.5 p -91.11 149.78 21.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 87' ' ' GLN . 0.6 OUTLIER -33.92 -42.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.077 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.31 -66.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 26.1 m120 -46.55 -59.27 3.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.23 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.41 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.58 -69.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . 27.4 tpt180 -36.59 -54.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.1 tp -43.85 -58.5 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.4 -31.84 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -72.98 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.73 -32.43 57.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.0 m-30 -81.57 -23.03 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.84 -38.47 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -58.53 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.37 -13.86 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.64 25.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -82.75 165.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.484 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -128.56 129.52 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.97 131.86 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.3 pt-20 -120.13 -174.08 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.62 ' OH ' HD23 ' A' ' 32' ' ' LEU . 22.1 m-85 -118.09 141.85 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -107.68 109.11 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.87 122.42 33.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.2 m -112.52 115.44 28.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 6.6 tm0? -78.38 122.36 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 16.1 m -126.14 174.89 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 177.79 4.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 162.56 36.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.69 -54.29 48.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -43.5 -36.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.612 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 53.5 t30 -147.82 86.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.9 165.57 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -144.32 128.58 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 12.6 m-85 -85.29 101.01 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -69.79 108.56 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.627 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -92.13 111.59 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -119.36 139.54 51.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 16.1 ttm -141.51 146.94 37.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 74' ' ' PHE . 12.9 m -136.68 135.82 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.524 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -134.84 152.99 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -116.67 138.56 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -111.62 120.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -38.19 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.1 pt20 -61.95 -20.34 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.2 mt -102.26 -36.4 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.08 58.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -171.87 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 151.42 40.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.24 150.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -126.3 156.8 39.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -143.71 155.34 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.82 99.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -112.74 179.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -130.18 73.9 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.51 170.5 53.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -72.78 -55.51 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.8 p30 -115.42 170.99 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -49.93 -57.21 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -44.77 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' ALA . 29.9 mt -39.47 -65.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.627 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.02 -55.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -60.1 -56.13 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -36.57 -65.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -57.61 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.701 ' O ' HD22 ' A' ' 93' ' ' LEU . 4.4 t -41.57 -59.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.62 -68.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 28.6 tp -41.03 -32.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.29 -54.47 40.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -65.17 -40.8 94.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 28' ' ' ALA . 14.7 t -57.41 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -38.98 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -59.56 -55.01 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.734 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -43.25 -52.72 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.41 -59.46 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.07 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.0 mt -49.33 -49.06 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.9 56.45 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.734 HG11 HD22 ' A' ' 97' ' ' LEU . 91.7 t -116.67 -44.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.2 pt -106.84 174.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.9 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.7 p -126.39 154.42 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 87' ' ' GLN . 7.6 mt -60.72 -38.49 85.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.75 -69.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.605 ' CG ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -52.4 -49.94 63.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 27' ' ' ASN . . . -38.26 -51.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.35 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -46.9 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' ALA . 14.9 tpt180 -35.56 -55.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.0 tp -44.75 -51.46 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ALA . 48.8 m-80 -62.55 -35.17 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -67.08 -31.92 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.453 ' OH ' HD12 ' A' ' 66' ' ' ILE . 38.4 t80 -74.14 -29.71 61.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.4 -24.54 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -87.57 -36.06 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -70.1 -58.44 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.35 -10.96 60.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.05 24.36 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.7 mt -83.21 165.58 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.5 mm100 -130.16 131.88 45.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.31 132.79 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.94 168.66 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.808 ' OH ' HD23 ' A' ' 32' ' ' LEU . 84.5 m-85 -102.91 132.16 49.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 107.43 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -90.93 125.46 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -113.86 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.7 tt0 -85.04 119.61 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 13.5 m -119.24 -178.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 -179.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 156.32 43.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.59 -48.14 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -47.57 -45.71 27.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -139.14 84.62 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -119.16 -177.41 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -160.19 121.32 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 59.1 m-85 -80.73 111.61 17.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 77' ' ' GLU . 5.8 mt -81.25 102.58 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.47 109.91 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -117.43 138.33 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 ttm -141.77 142.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 m -129.78 144.29 51.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 pt -144.26 153.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 15.8 t80 -117.94 136.77 53.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.545 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.4 mm -112.47 114.44 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -39.17 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.1 pt20 -61.84 -14.5 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -107.27 -38.15 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.04 8.49 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -139.14 -172.67 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.54 148.26 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 64' ' ' ILE . 24.9 pt -108.39 159.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -139.12 152.4 47.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -140.79 153.79 45.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 tmm_? -169.45 98.72 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 9.9 mm-40 -114.61 163.75 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.88 61.94 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.19 157.33 36.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.427 ' HB2' HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.06 -58.18 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.73 155.25 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -41.35 -47.21 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 18.6 mt -48.25 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.3 -60.25 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.04 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.712 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.8 mm100 -44.34 -68.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -40.48 -54.83 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.852 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -49.65 -64.46 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.36 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.576 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.4 tp -43.47 -37.88 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -75.01 -45.33 42.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.914 ' O ' HD11 ' A' ' 103' ' ' ILE . 60.7 t -51.4 -54.01 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.414 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 4.5 mtp85 -54.41 -59.83 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.418 ' O ' HD12 ' A' ' 100' ' ' LEU . 4.4 mt-30 -48.22 -39.37 20.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -62.63 -53.12 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.409 ' CA ' HG13 ' A' ' 103' ' ' ILE . 5.5 t80 -56.71 -60.1 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.73 -61.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.584 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 9.6 mt -49.19 -50.88 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.72 50.48 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 97' ' ' LEU . 90.8 t -113.38 -34.77 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 94' ' ' VAL . 17.8 pt -122.13 166.82 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.498 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.0 p -97.35 144.63 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.5 mt -32.0 -41.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -63.13 -67.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.5 m120 -44.98 -59.3 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.58 -56.67 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -49.05 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.77 -63.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.8 tpt180 -36.58 -59.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.775 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.3 tp -44.79 -52.55 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.34 -32.47 71.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -73.95 -31.31 62.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.36 -24.46 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -87.53 -37.4 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -68.51 -55.28 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.19 -17.2 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 78.82 21.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 60.6 mt -78.29 165.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 7.8 pt20 -130.92 127.2 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.31 128.6 1.91 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' HE3' ' A' ' 62' ' ' MET . 2.5 pt-20 -112.86 -174.84 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.775 ' OH ' HD23 ' A' ' 32' ' ' LEU . 41.6 m-85 -117.22 139.13 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 115.06 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 50.5 m-85 -90.39 119.82 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 m -108.64 112.77 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -79.84 125.35 29.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -127.49 174.34 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.25 176.56 3.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.98 163.4 35.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -58.3 -55.16 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -35.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.7 t-20 -148.77 86.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.96 166.62 11.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -142.81 132.37 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -91.07 107.19 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 mt -79.37 114.57 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.74 111.33 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -119.82 143.7 47.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 44' ' ' GLU . 23.5 ttm -148.5 149.81 32.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 73' ' ' ILE . 99.6 m -137.45 145.01 42.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -143.23 158.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 7.3 t80 -118.86 134.02 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.4 mm -106.49 116.95 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -38.21 53.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.524 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.0 pt20 -60.35 -14.25 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 66' ' ' ILE . 10.7 mt -109.54 -37.16 5.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.26 3.64 57.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.82 -172.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.55 156.8 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.928 HD12 ' HG3' ' A' ' 96' ' ' GLN . 2.0 pt -116.33 174.64 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -150.34 161.83 41.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -152.07 159.75 43.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 4.6 tmm_? -175.75 105.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -124.72 174.7 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -119.16 110.86 17.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 141.36 16.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -52.32 -48.4 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -122.19 142.81 50.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 2.1 mtmp? -40.26 -46.55 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -57.56 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -62.52 -55.42 27.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -40.35 -66.72 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.58 -51.05 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.82 -64.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -43.3 -57.31 3.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.739 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -47.58 -60.97 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.29 -63.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.72 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 52.3 tp -45.9 -43.37 13.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.3 t -50.23 -53.45 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.739 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -66.78 -44.33 81.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.951 ' O ' HD11 ' A' ' 103' ' ' ILE . 59.6 t -51.23 -46.15 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -59.95 -72.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.928 ' HG3' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -43.33 -37.02 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.431 HD22 HG11 ' A' ' 102' ' ' VAL . 18.5 mt -59.52 -58.12 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.6 -57.17 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -40.21 -63.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 8.2 mt -51.33 -47.38 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.44 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 97' ' ' LEU . 45.8 t -109.28 -45.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.951 HD11 ' O ' ' A' ' 94' ' ' VAL . 12.7 pt -103.36 177.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 21.8 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 27' ' ' ASN . 11.4 p -105.34 156.05 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.0 mt -37.85 -50.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' OD1' HG23 ' A' ' 24' ' ' THR . 21.3 m120 -49.52 -62.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -37.21 -61.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.54 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -45.3 -62.3 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 18.2 tpt180 -35.64 -64.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 10.6 tp -39.42 -60.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -44.5 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.28 -53.93 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -50.76 -31.25 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-30 -83.26 -21.77 33.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -84.18 -35.76 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.92 -57.95 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.36 -15.12 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 24.34 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.0 mt -81.68 164.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.0 pt20 -130.53 128.81 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.37 123.83 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -108.45 162.71 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.2 m-85 -101.45 130.65 47.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.68 103.86 15.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 13.5 m-30 -90.36 118.09 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -107.88 105.39 15.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 57.1 tt0 -75.86 137.49 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' SER . 16.0 m -154.78 170.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 80.15 174.19 46.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 147.15 33.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -43.54 -52.44 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -44.64 -37.47 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' PRO . 10.9 m-20 -143.46 86.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 21.3 mmt180 -95.37 145.24 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.68 110.45 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 49' ' ' GLN . 55.3 m-85 -90.65 102.08 14.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.5 mt -73.44 108.08 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.26 111.01 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.5 146.9 42.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 ttm -155.33 129.71 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.56 HG23 ' HB2' ' A' ' 74' ' ' PHE . 21.2 m -120.13 137.58 54.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.1 pt -136.13 149.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 7.5 t80 -115.26 138.86 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -112.66 119.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -37.61 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.52 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.5 pt20 -62.7 -16.78 58.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.694 HD11 HG23 ' A' ' 102' ' ' VAL . 11.0 mt -106.69 -31.99 8.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.85 8.63 69.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.59 ' NH2' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -136.35 -171.73 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 152.85 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 93' ' ' LEU . 37.4 pt -119.43 131.25 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -110.04 153.45 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.422 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.37 156.69 46.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -174.46 97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 41.4 mm-40 -110.52 -174.82 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -138.93 70.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.39 163.56 54.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -60.22 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -103.71 153.34 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 50.5 mttt -40.13 -49.46 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -50.71 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ALA . 26.2 mt -38.27 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.89 -56.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.709 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -52.71 -54.15 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.833 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -47.48 -59.47 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.541 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.91 -38.79 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.775 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.6 t -67.05 -60.43 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.509 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.61 -69.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.817 HD22 ' HD3' ' A' ' 95' ' ' ARG . 0.9 OUTLIER -38.73 -57.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' LEU . 1.3 t -36.93 -50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -72.72 -58.73 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 97' ' ' LEU . 98.2 t -48.81 -73.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.817 ' HD3' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -36.98 -50.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 92' ' ' SER . 31.2 mt-30 -59.47 -46.17 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.0 mt -52.86 -55.52 22.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.76 -52.15 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -51.36 -56.28 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.59 HD11 ' NH2' ' A' ' 71' ' ' ARG . 20.3 mt -53.93 -49.99 67.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.6 49.19 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.694 HG23 HD11 ' A' ' 69' ' ' LEU . 40.9 t -111.59 -47.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 94' ' ' VAL . 12.8 pt -101.98 162.39 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 23.5 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -97.24 149.83 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.2 mt -34.21 -37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -68.37 -62.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' ALA . 35.8 m120 -50.07 -65.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.24 -55.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.02 -74.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.03 -64.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.21 -57.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' OH ' ' A' ' 45' ' ' TYR . 13.9 tp -39.52 -55.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.32 -43.94 79.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -58.5 -50.21 74.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.584 ' OH ' HD12 ' A' ' 66' ' ' ILE . 59.3 t80 -53.17 -33.98 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.773 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 18.0 m-85 -84.74 -18.76 34.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -42.26 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -71.9 -50.55 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -70.29 -14.12 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 70.36 21.39 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.8 mt -82.83 164.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.473 ' N ' HG22 ' A' ' 41' ' ' ILE . 51.8 mt-30 -128.44 129.53 46.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.54 137.11 5.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.06 164.95 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.825 ' OH ' HD23 ' A' ' 32' ' ' LEU . 91.9 m-85 -106.01 130.66 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -98.33 103.56 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.5 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 94.4 m-85 -90.08 119.08 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -106.67 117.94 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.5 tm0? -80.78 128.25 33.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.5 172.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.96 17.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.01 159.26 41.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.72 -55.09 33.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -42.48 -39.84 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.615 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 37.7 t-20 -145.31 85.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.72 163.61 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' ' NE2' ' A' ' 78' ' ' HIS . 69.2 m -129.75 -172.3 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -142.13 107.82 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.1 mt -80.57 104.45 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.9 110.65 21.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -118.06 141.47 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -145.19 138.6 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 74' ' ' PHE . 6.9 m -125.85 135.24 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.773 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.7 pt -137.29 156.24 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 3.5 t80 -121.09 137.13 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.584 HD12 ' OH ' ' A' ' 35' ' ' TYR . 11.3 mm -113.0 122.21 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -33.19 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.5 pt20 -65.57 -9.75 29.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG12 ' A' ' 102' ' ' VAL . 21.6 mt -112.81 -37.57 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 7.34 57.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 -171.94 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 HG21 ' A' ' 63' ' ' THR . 0.0 OUTLIER -139.56 152.79 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.532 HG13 HD12 ' A' ' 93' ' ' LEU . 37.4 pt -116.18 148.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -125.41 150.16 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.19 155.15 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -168.64 86.96 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -94.45 171.62 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 7.5 t-160 -124.14 45.38 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.06 -177.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -64.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -100.31 152.75 19.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 5.3 mttt -41.14 -51.01 3.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LEU . 9.7 mmpt? -52.23 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.9 mt -39.4 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.24 -64.78 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.88 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.22 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.6 m -51.02 -45.53 61.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.762 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.0 t -52.72 -53.84 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.762 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -51.55 -69.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.535 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 38.4 tp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.13 -50.64 73.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -71.89 -54.17 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 97' ' ' LEU . 61.4 t -47.71 -47.15 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' CZ ' HD21 ' A' ' 91' ' ' LEU . 60.1 mtt180 -54.19 -56.86 14.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -55.85 -50.58 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 94' ' ' VAL . 55.1 mt -44.26 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -45.38 -37.72 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -63.71 -57.13 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.1 mt -53.63 -50.45 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.11 42.26 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.841 HG12 HD11 ' A' ' 69' ' ' LEU . 2.0 m -95.52 -50.96 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.561 HG23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -99.93 -169.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.9 m95 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' OD1' ' A' ' 27' ' ' ASN . 17.6 p -94.87 153.3 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 91' ' ' LEU . 5.7 mt -36.03 -43.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 37.4 mt-10 -67.25 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' A' ' 24' ' ' THR . 29.4 m120 -41.1 -61.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -39.61 -57.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -69.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.68 -65.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.1 tpt180 -38.59 -58.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.6 tp -41.29 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -58.69 -41.26 85.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 5.6 mm-40 -59.8 -43.92 94.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.603 ' OH ' HD12 ' A' ' 66' ' ' ILE . 72.5 t80 -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.8 m-85 -84.53 -20.91 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.29 -30.1 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.34 -54.24 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.6 mm-40 -74.5 -15.73 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.13 19.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 42' ' ' GLN . 17.9 mt -79.54 164.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 41' ' ' ILE . 45.2 mt-30 -132.39 131.54 41.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.97 127.43 2.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -106.79 159.55 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.912 ' OH ' HD23 ' A' ' 32' ' ' LEU . 78.4 m-85 -106.82 126.63 52.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -96.06 103.94 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.9 126.06 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m -112.71 106.26 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 57.0 tt0 -75.78 136.89 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -154.72 173.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 81.5 176.45 51.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.02 145.13 31.0 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -44.39 -49.11 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.605 ' CE1' ' HB2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.06 -33.89 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.605 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 0.7 OUTLIER -146.99 86.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 20.2 mmt180 -96.49 145.98 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.34 112.61 15.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 27.6 m-85 -90.98 101.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 5.2 mt -71.3 112.81 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.746 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -97.07 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.92 138.91 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.58 ' HE1' ' CE1' ' A' ' 45' ' ' TYR . 33.0 ttm -141.78 142.57 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.8 m -129.92 131.63 46.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -132.16 154.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -120.96 135.07 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.603 HD12 ' OH ' ' A' ' 35' ' ' TYR . 13.1 mm -110.66 113.51 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -34.33 72.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 69' ' ' LEU . 2.1 tt0 -54.35 -32.19 56.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.793 HD12 HH11 ' A' ' 71' ' ' ARG . 14.7 mt -102.04 -32.94 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.03 59.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.988 ' NH2' HG23 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -128.19 -174.68 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.58 148.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.988 HG23 ' NH2' ' A' ' 71' ' ' ARG . 42.2 pt -115.19 147.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.65 ' HB2' HG23 ' A' ' 63' ' ' THR . 2.3 t80 -123.29 149.99 44.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -132.97 157.11 45.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -169.81 84.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.64 179.86 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -137.19 96.07 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.81 179.2 34.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -68.95 -56.99 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' OD1' HD23 ' A' ' 84' ' ' LEU . 23.3 p30 -125.8 170.71 11.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -41.14 -56.04 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -43.01 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.3 mm? -39.97 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -34.46 -64.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.17 -54.68 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.489 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.7 mt-30 -50.43 -70.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.3 m -41.22 -45.38 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.731 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -54.31 -60.03 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.7 -65.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.617 ' CD2' ' HD2' ' A' ' 95' ' ' ARG . 3.9 mt -38.78 -57.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' LEU . 2.7 t -37.93 -53.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.5 mm? -69.26 -50.54 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 28' ' ' ALA . 46.5 t -48.03 -75.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.617 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -37.17 -56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -51.01 -50.12 59.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 102' ' ' VAL . 34.8 mt -50.24 -53.09 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -57.99 -52.95 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -50.2 -54.15 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.579 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.455 HD13 ' NH1' ' A' ' 71' ' ' ARG . 19.7 mt -58.22 -47.94 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.34 57.97 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 97' ' ' LEU . 95.1 t -120.7 -50.78 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 94' ' ' VAL . 7.6 pt -95.63 -172.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 31' ' ' ARG . 51.4 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.0 p -93.24 146.94 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.885 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.2 mt -32.78 -43.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 19.9 mt-10 -65.8 -62.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 24' ' ' THR . 30.2 m120 -45.86 -60.64 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.24 -65.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -72.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.57 -34.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.793 ' NH2' HG22 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -64.64 -64.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.0 tp -40.87 -57.07 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -46.74 -44.02 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -66.79 -42.38 86.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' A' ' 66' ' ' ILE . 62.5 t80 -63.29 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.0 m-30 -84.6 -24.45 29.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -87.15 -32.32 19.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.36 -55.18 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.9 mm-40 -74.64 -15.98 60.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt 77.44 16.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.5 mt -73.62 163.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.6 pm0 -133.5 127.19 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.39 134.16 4.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' SD ' ' A' ' 62' ' ' MET . 8.2 pt-20 -122.65 135.63 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 10.9 m-30 -72.56 121.6 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 106.13 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 97.2 m-85 -89.95 118.06 29.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -109.53 111.2 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -73.69 131.01 41.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -134.18 171.34 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 176.61 13.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 159.58 41.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -55.18 -55.54 30.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -42.04 -39.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.429 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 2.6 t30 -144.75 87.18 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 4.0 ptp180 -117.12 170.4 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 50' ' ' VAL . 4.5 p -152.19 138.65 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -92.81 125.09 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.31 104.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . . . -86.37 110.72 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -125.45 136.03 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 44' ' ' GLU . 1.2 tpp -140.28 141.1 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.655 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.3 m -122.72 122.55 39.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 93' ' ' LEU . 2.3 pt -123.61 141.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.44 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.0 t80 -105.47 138.02 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 69' ' ' LEU . 16.8 mm -111.17 119.6 60.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -37.84 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 7.5 pt20 -60.84 -18.36 55.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.0 mt -104.86 -37.84 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.75 6.14 57.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.872 HH21 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -135.26 -171.49 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.02 147.63 38.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.45 151.02 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HB2' HG23 ' A' ' 63' ' ' THR . 6.3 t80 -126.18 150.68 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -135.48 148.24 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -160.42 81.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 9.1 mm-40 -93.25 142.31 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 52.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.58 176.36 0.43 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -63.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.4 p30 -108.43 161.25 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -42.52 -58.91 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.65 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -40.16 -65.81 0.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.88 -53.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.597 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . . . -56.84 -69.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -37.86 -38.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m -71.54 -52.36 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.9 t -45.47 -58.84 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -46.42 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.885 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.7 tp -40.06 -34.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.33 -55.73 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 64' ' ' ILE . 2.2 mm? -67.87 -47.51 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 28' ' ' ALA . 43.7 t -49.71 -65.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -41.56 -56.11 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -54.26 -46.07 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.646 HD22 HG11 ' A' ' 102' ' ' VAL . 35.2 mt -54.99 -55.25 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 7.7 t80 -54.54 -51.12 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.21 -59.9 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.872 HD21 HH21 ' A' ' 71' ' ' ARG . 10.2 mt -51.08 -45.16 61.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.05 50.71 0.38 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.646 HG11 HD22 ' A' ' 97' ' ' LEU . 74.4 t -111.26 -40.88 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.793 HG22 ' NH2' ' A' ' 31' ' ' ARG . 15.1 pt -110.7 164.33 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 23' ' ' TRP . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CE3' ' OD1' ' A' ' 27' ' ' ASN . 12.0 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.48 150.8 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.89 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.9 mt -54.5 -48.13 72.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -60.81 -67.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' CE3' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -46.9 -58.67 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.845 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.05 -61.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HE3' ' HB1' ' A' ' 86' ' ' ALA . 2.9 tttt -40.35 -65.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.32 -57.1 7.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLN . 33.0 tpt85 -41.62 -61.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD21 ' SD ' ' A' ' 62' ' ' MET . 39.8 tp -40.33 -51.72 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -57.09 -50.02 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.28 -34.02 55.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 18.9 m-85 -79.26 -24.91 42.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.68 -53.1 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -53.41 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 4.2 mm-40 -68.22 -20.16 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.6 23.46 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.0 mt -82.43 164.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' N ' HG22 ' A' ' 41' ' ' ILE . 6.5 pt20 -125.96 126.39 44.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.21 125.42 1.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.21 -175.21 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 92.5 m-85 -110.56 128.87 55.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 104.57 16.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.641 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 81.8 m-85 -90.59 120.28 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' VAL . 1.8 m -107.59 114.26 28.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.58 117.72 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 HG22 ' A' ' 48' ' ' THR . 15.4 m -120.63 176.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.25 179.24 2.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 155.14 43.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.47 -50.19 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.2 p-80 -46.0 -45.7 15.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 7.0 t-20 -139.39 84.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -119.44 -179.15 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.535 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 1.1 m -157.38 133.73 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.78 103.52 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 78' ' ' HIS . 49.5 mt -72.06 106.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -87.07 109.43 19.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.16 132.96 56.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.704 ' SD ' HD21 ' A' ' 32' ' ' LEU . 28.6 ttm -137.97 141.63 40.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -129.24 141.8 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.9 pt -141.88 153.73 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 16.3 t80 -119.14 137.55 53.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.7 mm -112.11 114.4 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -39.87 65.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.9 pt20 -60.43 -16.39 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.0 mt -106.7 -38.22 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.25 9.89 57.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 -173.7 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.28 147.82 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 93' ' ' LEU . 28.6 pt -110.41 155.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.2 t80 -132.06 155.16 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -142.39 154.74 44.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -171.61 89.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 9.9 mm-40 -94.33 179.43 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.679 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.6 t-160 -131.06 49.34 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.56 -167.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -97.93 -62.18 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.05 164.74 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 10.4 mttt -42.3 -57.17 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -45.05 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -40.25 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.73 -66.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.46 -62.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -41.02 -66.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 4.7 m -41.6 -51.21 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.863 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -51.62 -62.49 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -44.0 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.89 HD22 ' HG ' ' A' ' 25' ' ' LEU . 48.2 tp -42.4 -35.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.55 -52.08 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.863 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -68.69 -39.57 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.845 HG21 ' HB1' ' A' ' 28' ' ' ALA . 60.3 t -53.78 -59.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -58.15 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -46.23 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 102' ' ' VAL . 32.5 mt -53.74 -52.88 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.08 -59.66 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.52 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.36 -60.25 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -49.77 -47.51 50.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.49 49.91 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 97' ' ' LEU . 89.3 t -111.97 -43.79 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 94' ' ' VAL . 22.4 pt -106.86 -173.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 32.3 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 25' ' ' LEU . 15.7 p -85.84 146.07 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.4 mt -31.88 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.1 mm-40 -62.98 -68.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' O ' ' C ' ' A' ' 28' ' ' ALA . 28.0 m120 -44.71 -63.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -33.64 -68.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -46.58 -67.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -36.91 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -47.1 -54.06 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD23 ' OH ' ' A' ' 45' ' ' TYR . 38.5 tp -42.55 -50.33 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -61.48 -39.57 91.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.7 mm100 -64.65 -37.17 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -67.4 -35.0 78.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.7 m-85 -81.97 -19.76 39.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.37 -41.01 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -66.99 -53.81 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.15 -17.39 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.94 19.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 42' ' ' GLN . 66.2 mt -76.48 165.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 41' ' ' ILE . 1.2 pt20 -129.06 127.31 41.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.86 132.82 4.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.42 162.33 19.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.689 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.9 m-85 -104.57 127.48 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -92.14 102.44 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 92.9 m-85 -90.8 119.03 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 m -108.47 113.95 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -77.96 131.37 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -135.67 174.19 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.41 175.31 17.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.95 158.15 42.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.51 -56.87 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -41.28 -39.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.471 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 6.9 t-20 -145.97 85.65 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.63 163.35 16.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.8 m -129.24 -172.52 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.59 106.93 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.94 103.98 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -91.18 110.48 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -121.16 138.15 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -141.73 148.4 38.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' ILE . 91.6 m -137.35 140.41 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.485 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.52 148.91 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.2 t80 -113.38 131.96 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.509 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -105.08 113.51 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -39.02 63.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.8 pt20 -60.15 -16.18 30.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HG ' HG21 ' A' ' 66' ' ' ILE . 16.9 mt -111.57 -29.45 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.52 6.27 80.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -128.29 173.13 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -136.06 143.72 44.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 63' ' ' THR . 26.6 pt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -134.03 154.92 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -142.21 152.54 43.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -168.15 88.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.18 175.61 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 3.5 t-160 -133.62 71.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.642 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.8 -172.75 33.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -80.13 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 14.2 mttt -50.59 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mttm -39.5 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 85' ' ' ALA . 35.9 mt -39.92 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -36.68 -66.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -39.96 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.614 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -38.15 -36.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.452 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.57 -53.51 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.668 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.24 -56.85 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.859 HD22 ' HG ' ' A' ' 25' ' ' LEU . 46.3 tp -41.51 -34.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.32 -53.29 59.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -66.29 -42.45 88.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.703 HG21 ' HB1' ' A' ' 28' ' ' ALA . 79.7 t -54.26 -52.56 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.43 29.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.74 -53.0 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -47.8 -54.87 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.703 ' HB2' HD11 ' A' ' 103' ' ' ILE . 4.6 t80 -56.95 -37.47 71.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.47 -56.45 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.81 -47.47 82.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.48 42.46 0.54 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 103' ' ' ILE . 61.7 t -95.35 -73.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 98' ' ' TYR . 3.3 pt -55.74 -107.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 22.5 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 4.5 p -101.96 146.24 28.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.6 mt -34.62 -37.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mt-10 -66.02 -62.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 24' ' ' THR . 32.4 m120 -50.38 -63.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.83 -64.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -40.96 -64.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -36.58 -59.41 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.831 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.7 tp -40.23 -58.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -54.2 -40.57 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -61.78 -47.46 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -56.97 -29.48 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.633 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 19.6 m-85 -86.99 -31.91 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -33.26 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -53.49 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 41' ' ' ILE . 5.4 mm-40 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.49 17.87 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.1 mt -78.54 165.19 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.7 pt20 -130.04 127.86 40.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.91 136.71 5.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.19 162.29 20.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.831 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.6 m-85 -100.95 133.75 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.55 105.11 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' A' ' 82' ' ' LYS . 91.5 m-85 -90.78 123.28 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -113.09 107.62 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.69 134.76 40.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.04 -170.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.62 176.38 0.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.636 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.04 162.21 37.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.55 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.636 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 31.2 p80 -42.75 -33.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.472 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.4 t-20 -151.26 86.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 173.58 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -155.28 135.1 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -95.97 113.1 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.1 mt -77.77 104.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -118.44 139.83 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.619 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.8 ttm -145.84 134.46 22.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.7 m -120.97 136.07 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.4 pt -135.97 157.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 4.1 t80 -120.58 139.14 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.62 HG22 ' HG2' ' A' ' 68' ' ' GLN . 6.1 mm -113.13 124.82 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -29.33 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.62 ' HG2' HG22 ' A' ' 66' ' ' ILE . 1.1 pt20 -68.36 -7.98 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.584 ' CD1' HD13 ' A' ' 100' ' ' LEU . 38.8 mt -116.65 -36.75 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.93 54.25 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 2.7 ptm180 -141.3 -171.25 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.48 158.23 44.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 pt -123.49 143.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -120.45 151.76 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -138.45 155.08 48.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.0 tmm_? -171.77 98.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -113.92 176.16 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -127.53 61.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.6 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.46 -168.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m -90.23 -50.61 5.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 0.762 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -129.68 171.91 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 47' ' ' TYR . 4.7 mttt -46.54 -44.95 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -72.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 84' ' ' LEU . 2.0 mm? -46.57 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.2 -54.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 82' ' ' LYS . . . -55.15 -54.16 46.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.489 ' CB ' HD22 ' A' ' 25' ' ' LEU . 2.3 mt-30 -46.83 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -53.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.74 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -46.78 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.622 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.8 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 tp -40.85 -33.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -59.19 -52.55 65.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.74 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.96 -46.78 73.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.588 HG21 ' HB1' ' A' ' 28' ' ' ALA . 15.9 t -51.69 -56.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -45.09 -62.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -56.06 9.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD2' HG11 ' A' ' 102' ' ' VAL . 53.8 mt -44.75 -65.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -44.28 -33.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -71.79 -61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.584 HD13 ' CD1' ' A' ' 69' ' ' LEU . 12.9 mt -46.4 -52.36 13.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 125.06 47.43 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -102.41 -59.33 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.648 ' N ' HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -90.42 -170.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.489 ' HE3' ' OD1' ' A' ' 27' ' ' ASN . 9.3 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -128.17 146.32 50.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 91' ' ' LEU . 9.1 mt -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.3 mm-40 -59.69 -60.18 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' ' HE3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.13 -64.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -34.08 -51.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.74 -56.21 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -63.0 -59.47 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -39.55 -49.37 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 30.7 tp -51.89 -58.76 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -52.51 -33.87 47.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.65 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.91 -29.65 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.97 -27.88 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.94 -36.76 41.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -71.83 -60.52 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -66.26 -15.41 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.44 23.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 42' ' ' GLN . 23.4 mt -81.19 164.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 41' ' ' ILE . 13.7 mt-30 -128.47 130.08 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.55 134.45 3.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.5 OUTLIER -121.54 -171.34 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 29' ' ' LYS . 47.6 m-85 -113.72 138.5 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 105.41 15.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.84 120.37 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.5 m -112.83 111.16 21.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -79.1 126.26 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -131.1 172.4 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.55 177.77 14.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.02 160.87 39.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.79 -52.23 66.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -44.99 -36.62 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 19.3 t-20 -147.33 86.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.89 165.04 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -144.8 130.36 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 43.8 m-85 -89.84 105.04 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.57 105.65 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.433 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.42 109.55 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.91 136.93 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 32' ' ' LEU . 21.9 ttm -141.46 137.1 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' ILE . 87.1 m -126.79 142.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.91 154.69 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.429 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 10.0 t80 -118.63 136.41 53.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.6 mm -110.6 117.91 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -38.71 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.9 pt20 -61.92 -17.95 58.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 102' ' ' VAL . 11.0 mt -104.92 -31.85 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.04 7.2 70.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -134.78 -173.02 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.15 151.27 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . 33.2 pt -113.34 155.96 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -133.75 154.53 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.61 151.73 40.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 9.1 ttm180 -166.32 92.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.06 169.32 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.66 60.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.3 168.15 30.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -69.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -102.06 162.21 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -40.47 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -72.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.1 mt -39.01 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.05 -67.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -42.78 -65.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.491 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -35.78 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -38.03 -39.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.797 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -61.87 -58.67 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.63 -71.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 25' ' ' LEU . 62.7 tp -40.48 -36.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -57.65 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -65.66 -38.78 90.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 28' ' ' ALA . 57.6 t -58.32 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -39.17 -53.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.65 -49.92 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 102' ' ' VAL . 24.2 mt -48.76 -50.43 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.95 -55.93 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.48 -58.36 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.512 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 68.0 mt -55.19 -48.65 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.99 52.46 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.659 ' CG2' HD11 ' A' ' 69' ' ' LEU . 91.8 t -113.1 -39.43 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.8 pt -113.09 175.97 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.74 -58.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.94 164.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.91 172.49 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.54 162.96 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.95 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -151.58 161.7 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 69.86 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -119.22 124.08 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -109.84 87.76 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -89.85 23.81 2.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.71 53.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.31 95.34 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t -129.9 149.18 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -121.55 178.73 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -75.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -91.35 -37.11 13.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -26.0 8.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.94 -22.5 77.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -94.85 -43.35 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 0.725 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -53.02 -62.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.596 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.7 108.71 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -85.64 71.53 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 14.8 m95 -115.74 95.99 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 107.99 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -94.34 144.67 25.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.0 mt -33.78 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.5 mt-10 -67.98 -57.39 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' OD1' HG23 ' A' ' 24' ' ' THR . 31.3 m120 -52.08 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -38.28 -54.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -47.29 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.47 -61.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ALA . 27.0 tpt180 -38.04 -54.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 90' ' ' ALA . 18.3 tp -47.77 -57.1 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -57.84 -35.99 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.56 -44.26 94.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.84 -33.51 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 21.0 m-85 -80.55 -20.83 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.97 -45.28 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -55.24 24.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.56 -19.54 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 77.34 16.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 42' ' ' GLN . 42.9 mt -72.78 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.516 ' N ' HG22 ' A' ' 41' ' ' ILE . 9.8 pt20 -126.88 126.63 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.45 132.58 3.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.8 OUTLIER -121.29 -173.53 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.671 ' OH ' HD23 ' A' ' 32' ' ' LEU . 31.3 m-85 -116.58 144.99 43.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.42 103.74 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -90.84 118.68 30.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -112.17 111.09 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.476 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -75.53 126.43 31.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.91 172.83 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.72 177.95 12.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.03 162.79 36.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -58.27 -54.79 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -43.08 -36.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 4.9 t30 -147.79 86.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.61 166.42 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 138.87 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -97.41 99.25 10.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.33 102.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.519 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -88.44 109.22 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -116.45 139.93 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.678 ' SD ' HD21 ' A' ' 32' ' ' LEU . 33.7 ttm -141.83 143.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 74' ' ' PHE . 8.5 m -133.86 136.27 44.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.2 pt -136.92 150.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.2 t80 -117.96 136.38 53.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.0 mm -110.11 118.33 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -37.83 54.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 2.8 pt20 -61.11 -14.91 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.679 HD11 HG23 ' A' ' 102' ' ' VAL . 17.8 mt -110.21 -34.84 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.23 7.99 63.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.77 -178.74 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.18 153.12 47.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' A' ' 97' ' ' LEU . 22.5 pt -120.1 136.96 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -116.78 155.04 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -141.42 156.23 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.562 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.8 ttp180 -167.12 95.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -106.46 -174.67 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.48 60.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -172.91 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -68.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -104.25 163.42 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -44.9 -39.74 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -64.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 85' ' ' ALA . 3.9 mm? -47.5 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.04 -54.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.99 -65.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.1 m -45.26 -50.03 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.653 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -51.68 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.75 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.728 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.2 tp -40.3 -33.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.08 -53.46 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.4 mm? -67.28 -39.22 86.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.5 t -56.27 -60.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -46.66 -47.26 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 100' ' ' LEU . 17.8 mt-30 -61.35 -50.78 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 73' ' ' ILE . 30.8 mt -49.77 -52.4 32.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.25 -26.22 67.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.54 -55.67 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.655 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.08 -46.87 84.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.66 57.58 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.679 HG23 HD11 ' A' ' 69' ' ' LEU . 95.5 t -117.04 -51.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.3 pt -95.06 -176.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -142.85 147.78 35.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.42 148.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -89.17 162.39 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -122.37 32.85 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 9.5 t -44.19 95.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' SER . . . 84.0 169.57 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.48 6.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.0 m 58.34 170.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.954 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -132.51 94.72 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t 63.4 129.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -129.02 -59.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.19 -108.38 1.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 64.15 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -159.97 79.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.68 -116.26 0.71 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.58 84.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.26 62.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.8 m -61.62 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 117.64 6.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.08 95.38 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -135.69 154.0 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 5.8 t0 58.28 109.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -109.53 -74.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -82.09 -39.25 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 112' ' ' SER . . . -40.44 -47.73 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . -65.71 -51.06 50.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.3 mt -49.78 -57.94 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -42.06 -68.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.29 116.64 1.86 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -88.92 73.93 8.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -127.03 81.48 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.049 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 19.0 p -89.74 149.82 22.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.7 mt -32.59 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -67.9 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ALA . 34.5 m120 -49.39 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.78 -57.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -45.36 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.76 -58.98 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' GLN . 24.9 tpt180 -36.68 -64.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.1 tp -40.44 -58.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -49.19 -45.03 43.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.4 mm-40 -59.12 -53.74 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 59.0 t80 -50.69 -33.13 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.651 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 14.1 m-30 -82.06 -20.33 38.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -86.42 -40.23 15.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -59.23 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -68.33 -11.71 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.93 25.07 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -81.77 164.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.8 pt20 -128.94 126.79 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.75 128.82 2.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -113.88 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.59 144.12 39.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.28 103.89 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -90.2 122.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -112.57 113.67 25.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -80.45 117.91 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 57' ' ' SER . 15.3 m -117.88 179.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.48 -179.34 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.03 155.77 42.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.31 -52.42 63.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 2.6 p80 -44.66 -39.57 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.444 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.4 t30 -145.06 84.74 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -119.51 -175.91 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -161.31 122.48 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -79.81 110.77 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 59' ' ' ILE . 11.2 mt -80.05 101.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.73 108.28 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -116.98 143.61 45.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.674 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.3 ttm -144.99 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' PHE . 24.3 m -132.45 139.03 47.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.651 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.57 157.66 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -119.57 138.07 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.5 mm -111.99 118.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -38.64 52.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 12.5 pt20 -61.81 -17.9 57.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.576 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.4 mt -104.65 -35.52 7.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.62 9.35 61.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.77 -171.59 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 150.64 40.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 pt -113.65 155.9 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -133.32 151.42 51.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -137.18 156.89 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.21 97.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.32 176.9 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -126.63 99.98 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.81 156.21 18.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -57.3 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 84' ' ' LEU . 6.1 p30 -117.93 161.85 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -42.27 -63.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.2 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' ND2' ' A' ' 81' ' ' ASN . 28.3 mt -39.7 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.06 -64.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -40.7 -63.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.418 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -38.63 -46.49 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.2 -54.12 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.686 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -45.91 -59.74 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.61 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.682 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.6 tp -40.33 -35.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -58.14 -51.07 71.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -70.07 -44.79 68.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' HD11 ' A' ' 103' ' ' ILE . 57.7 t -51.66 -49.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.73 -51.61 66.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.88 -41.31 86.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 102' ' ' VAL . 32.4 mt -58.45 -55.07 39.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 2.6 t80 -57.39 -46.45 83.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -59.76 -66.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.7 mt -45.86 -49.15 15.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.19 62.54 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 97' ' ' LEU . 76.8 t -121.32 -46.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.0 pt -103.17 171.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.89 142.11 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.34 121.5 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.463 ' HB3' ' CB ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -61.66 -149.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.47 38.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.1 t -70.1 -40.94 74.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.35 125.06 27.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 98.2 p -94.21 172.16 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 31.7 p -89.67 82.37 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p 48.91 96.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -122.54 116.51 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.61 137.56 2.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -135.08 151.32 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -154.76 137.88 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.04 69.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -118.97 62.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLU . 16.3 pt-20 39.99 47.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 p -55.75 87.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' GLU . 4.1 mt-10 -72.1 99.93 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -89.53 42.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.78 152.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -93.21 109.41 20.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 -70.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 19' ' ' LEU . 20.5 m120 -84.33 -45.47 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -26.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.69 57.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 16' ' ' ASN . 4.5 mt -48.05 -63.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -49.93 -63.93 0.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.59 114.2 3.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 4.8 m120 -81.95 68.98 8.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.61 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 26.1 m95 -117.29 101.76 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 107.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.5 p -98.97 144.91 27.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.821 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.4 mt -32.47 -42.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mm-40 -61.3 -66.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 32.6 m120 -47.28 -61.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.43 -67.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -39.96 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.93 -64.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 1.2 tmt_? -38.14 -58.19 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.915 HD23 ' OH ' ' A' ' 45' ' ' TYR . 22.8 tp -39.71 -56.62 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.64 -42.23 78.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.0 mm-40 -58.73 -48.04 82.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.39 -33.53 65.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 20.4 m-85 -83.71 -20.05 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.73 -41.14 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -71.46 -53.56 13.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CB ' HD12 ' A' ' 41' ' ' ILE . 2.8 mm-40 -71.51 -14.46 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.32 20.49 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 39' ' ' GLU . 26.8 mt -78.91 164.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.1 mt-30 -125.4 128.61 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.45 127.61 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -115.53 -176.41 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.915 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.3 m-85 -113.79 134.84 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -99.72 105.41 17.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 78.6 m-85 -90.35 120.17 31.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -112.1 107.75 16.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.8 tt0 -74.96 130.96 40.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.92 -171.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 176.13 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.643 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.05 162.04 37.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -58.45 -56.03 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 31.4 p80 -42.66 -33.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 1.1 t30 -151.35 86.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.68 173.07 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -154.8 135.97 13.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 54.5 m-85 -93.91 108.59 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' ' 59' ' ' ILE . 10.1 mt -73.64 100.97 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.01 107.84 17.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.15 138.34 51.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.618 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.4 ttm -141.44 143.62 33.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.3 m -133.58 137.62 45.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.52 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.4 pt -138.1 149.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.414 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 9.1 t80 -113.51 136.25 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.0 mm -110.09 118.04 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -38.25 53.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.7 pt20 -61.87 -16.98 54.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' CG2' ' A' ' 102' ' ' VAL . 12.1 mt -106.31 -34.82 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.62 62.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 1.8 ptm180 -136.44 -175.41 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -140.78 149.47 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -114.67 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -128.42 152.89 47.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -138.45 154.19 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -166.46 92.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -104.26 176.78 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 74.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.77 178.8 50.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 84' ' ' LEU . 29.0 t -78.99 -53.21 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -119.12 157.84 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 13.6 mttp -40.81 -55.63 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 3.4 mmtt -46.96 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 80' ' ' SER . 28.0 mt -39.6 -70.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -37.31 -63.78 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' CYS . . . -42.85 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -38.79 -42.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 7.8 m -65.92 -49.12 69.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -52.14 -56.9 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.64 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -45.54 -71.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.821 HD22 ' HG ' ' A' ' 25' ' ' LEU . 33.8 tp -39.61 -35.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -58.4 -55.02 40.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.5 mm? -65.62 -41.26 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 28' ' ' ALA . 42.4 t -52.91 -60.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -54.57 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.93 -49.51 71.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.582 HD22 HG11 ' A' ' 102' ' ' VAL . 30.9 mt -49.5 -53.53 22.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 4.5 t80 -62.0 -45.62 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.545 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.33 -62.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 15.5 mt -53.11 -47.37 68.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.96 58.73 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 69' ' ' LEU . 77.8 t -115.5 -47.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.2 pt -102.17 178.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -130.87 143.67 50.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.55 139.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.1 t80 -67.08 169.12 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.38 31.09 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.512 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -58.45 131.58 51.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.63 126.92 0.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.1 m -76.14 94.12 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.21 -58.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.77 140.1 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.94 148.77 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.052 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 -169.78 38.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.21 132.85 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.98 128.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.952 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.67 56.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -117.27 86.27 2.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -126.52 53.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.3 m -61.81 85.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.42 91.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.52 91.31 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -135.35 155.49 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -110.37 134.66 52.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -92.14 -75.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.1 -31.46 27.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.6 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . . . -55.18 -21.61 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -18.71 76.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.836 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.38 -47.75 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -50.49 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.35 93.32 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.446 ' OD1' ' HB1' ' A' ' 17' ' ' ALA . 1.9 m120 -75.86 66.14 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 13.0 m95 -113.03 97.01 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.048 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' ' 27' ' ' ASN . 16.1 p -96.85 151.19 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.9 mt -34.81 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.66 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG23 ' A' ' 24' ' ' THR . 24.1 m120 -48.34 -60.95 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -35.3 -64.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -50.73 -55.0 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.46 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 22.2 tpt180 -38.73 -56.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.981 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.7 tp -42.38 -50.29 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -62.06 -39.18 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.52 -41.23 98.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.26 -34.29 77.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.44 -21.37 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.67 -39.99 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -69.5 -53.65 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.0 mt-10 -72.01 -12.63 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 72.76 12.04 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 42' ' ' GLN . 26.9 mt -69.18 166.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.8 pt20 -128.63 125.52 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 133.16 4.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.35 164.28 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.981 ' OH ' HD23 ' A' ' 32' ' ' LEU . 75.8 m-85 -107.66 137.62 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.74 110.15 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -91.44 125.05 36.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 m -117.66 105.71 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -70.85 131.18 43.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -136.09 173.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.93 177.72 12.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.01 156.91 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.73 -56.38 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.5 p-80 -40.94 -44.34 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.7 t30 -138.53 87.07 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 171.34 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.1 p -154.27 129.05 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.37 104.37 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.7 mt -69.14 105.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.67 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.71 110.63 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.77 139.2 50.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 ttm -146.87 141.57 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.444 ' HG1' ' HD2' ' A' ' 74' ' ' PHE . 82.0 m -128.76 142.16 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -140.81 151.6 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 11.6 t80 -116.89 137.47 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 69' ' ' LEU . 21.2 mm -112.15 117.13 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -38.58 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 21.4 pt20 -61.91 -15.38 42.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -106.82 -38.07 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.83 9.07 57.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.5 -172.05 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -142.64 150.44 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.481 HG13 HD12 ' A' ' 93' ' ' LEU . 35.4 pt -114.33 148.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -127.57 151.26 49.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -137.62 157.47 46.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -170.09 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -99.2 -178.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.661 ' CD2' ' N ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -135.7 60.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -163.19 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -96.65 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -106.74 162.73 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -41.06 -46.63 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -72.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -41.51 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -33.22 -57.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -38.55 -65.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.45 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 74.5 m -45.16 -57.3 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.0 OUTLIER -43.52 -55.63 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 108.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -50.18 -67.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.9 tp -39.54 -33.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.35 -54.18 44.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -68.4 -42.33 79.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.806 ' O ' HD11 ' A' ' 103' ' ' ILE . 47.8 t -54.79 -49.83 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 2.1 mtp180 -54.7 -53.18 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.92 -46.74 81.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 102' ' ' VAL . 33.8 mt -54.53 -54.43 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 4.0 t80 -54.28 -60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -44.93 -59.66 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 14.9 mt -50.2 -47.0 54.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.76 47.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 97' ' ' LEU . 79.1 t -109.01 -38.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.3 pt -112.76 -177.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -139.92 144.73 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -39.53 139.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.1 t80 -69.05 163.3 25.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.82 29.93 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 1.5 t -53.16 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.7 164.79 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.44 5.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.573 1.828 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.4 t -171.49 112.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -88.55 -60.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.13 123.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -154.82 143.1 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 140.46 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.5 82.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.96 118.43 11.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.5 -112.85 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 mt 49.82 -175.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLU . 15.6 pt-20 39.08 45.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -57.92 85.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' GLU . 19.4 mt-10 -150.85 56.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.64 93.08 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.84 145.24 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 10.4 m-20 -126.44 171.87 10.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.2 -68.7 0.9 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.43 -40.93 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . . . -46.48 -51.92 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.71 -20.75 8.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.25 -51.14 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -47.99 -63.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.543 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.2 110.3 3.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -79.22 69.89 5.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 18.7 m95 -120.95 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -95.79 148.81 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.4 mt -33.79 -38.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 8.2 mt-10 -66.97 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 27.6 m120 -51.4 -62.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.04 -48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' NZ ' ' CE1' ' A' ' 45' ' ' TYR . 16.8 tptt -58.57 -73.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.64 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 22.7 tpt180 -37.56 -51.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.3 tp -48.29 -58.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -52.98 -38.0 61.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.36 -48.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -57.21 -33.93 68.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.8 m-85 -83.43 -21.32 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -83.99 -38.03 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -57.12 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -68.7 -16.54 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 73.24 25.08 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 42' ' ' GLN . 27.4 mt -82.21 165.7 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.499 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -127.44 127.31 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.44 127.7 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -115.82 -176.38 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.482 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 93.3 m-85 -109.4 156.8 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 101.93 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.628 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 93.3 m-85 -90.56 122.58 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 m -117.81 107.61 14.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.65 130.13 41.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -135.07 173.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 178.24 9.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.98 158.21 42.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.64 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -41.59 -41.42 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 32.2 t-20 -141.32 87.12 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.67 171.38 8.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.491 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -155.51 128.18 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.64 106.3 14.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.516 HG12 ' CG ' ' A' ' 78' ' ' HIS . 39.4 mt -70.97 100.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.63 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.98 108.72 18.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 32.9 ttm -143.46 151.06 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 18.0 m -139.62 137.19 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.3 pt -137.99 154.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -118.45 137.81 52.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.574 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.9 mm -112.27 118.42 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -38.61 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.13 -17.87 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -105.3 -37.31 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.82 9.47 58.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -138.55 -178.3 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 150.04 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 93' ' ' LEU . 26.6 pt -114.77 149.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -127.58 153.99 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.489 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.24 157.95 45.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -171.15 90.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.57 150.36 25.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 59' ' ' ILE . 9.2 m170 -99.37 48.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.11 176.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 t -82.73 -68.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -107.49 174.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -51.99 -60.44 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -43.53 -72.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.0 mt -40.16 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.13 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.628 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.92 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 1.5 mt-30 -39.14 -64.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.1 m -46.12 -51.17 14.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.771 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -48.3 -57.61 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -49.8 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.705 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.6 tp -39.33 -42.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -51.89 -53.53 39.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -66.54 -49.4 66.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 23.9 t -45.74 -59.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -46.54 -56.9 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.78 -49.17 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.726 HD22 HG11 ' A' ' 102' ' ' VAL . 31.9 mt -50.15 -53.27 28.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.11 -59.4 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.581 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.95 -64.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.581 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.1 mt -46.37 -50.29 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.71 57.48 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.726 HG11 HD22 ' A' ' 97' ' ' LEU . 78.7 t -117.66 -47.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.2 pt -104.52 -175.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.57 144.11 37.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.42 137.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 1.4 t80 -72.89 158.91 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.91 31.34 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.572 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 21.2 t -40.39 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.03 -158.23 10.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.99 33.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.87 23.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.2 t -156.27 112.46 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m 62.71 124.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -178.76 150.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.38 123.7 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -161.96 152.26 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 170.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.48 -66.35 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.58 101.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 10.9 pt-20 -156.64 55.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.8 m -60.61 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.8 mm-40 -139.8 60.06 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -96.88 41.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 m -91.76 -172.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 26.0 t0 177.34 -36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.66 -163.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ALA . 17.4 p30 -58.49 -15.87 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -37.44 -62.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.47 -58.2 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.421 1.075 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mp -47.34 -56.11 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -52.33 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.635 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.7 110.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.25 63.03 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.428 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 13.3 m95 -114.96 87.86 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' LEU . 14.7 p -93.0 150.46 20.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 87' ' ' GLN . 10.6 mt -35.93 -49.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -51.85 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.0 m120 -58.44 -69.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -36.59 -40.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.5 -59.08 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -39.11 -54.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.771 HD23 ' OH ' ' A' ' 45' ' ' TYR . 27.1 tp -47.29 -58.67 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -50.64 -38.53 46.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -49.7 71.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' OH ' HD12 ' A' ' 66' ' ' ILE . 56.3 t80 -55.1 -30.49 59.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 13.1 m-30 -81.24 -25.68 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -83.76 -37.89 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -58.21 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.54 -12.09 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.21 28.25 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 42' ' ' GLN . 61.9 mt -83.38 165.23 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.477 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.3 mt-30 -129.89 132.05 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.18 131.54 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.19 -176.67 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.771 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.8 m-85 -116.03 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 108.19 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 96.4 m-85 -89.79 121.54 32.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -109.58 108.43 18.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.1 tm0? -76.97 133.45 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 30.5 m -138.17 -169.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.54 176.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.641 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.94 162.58 37.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.95 -55.82 30.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.641 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 31.6 p80 -42.82 -33.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.558 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 8.4 t-20 -150.7 87.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.81 173.68 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -156.49 128.08 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 67.8 m-85 -90.24 115.56 27.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.87 104.21 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB3' ' C ' ' A' ' 85' ' ' ALA . . . -88.86 109.9 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' C ' ' CD ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -115.26 154.53 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.0 ttm -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 74' ' ' PHE . 19.2 m -132.24 137.64 47.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.04 152.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -115.7 136.73 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 ' HG ' ' A' ' 69' ' ' LEU . 17.9 mm -110.39 117.09 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -38.94 57.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.55 -18.09 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -104.27 -37.95 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.03 57.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 2.2 ptm180 -138.54 -171.47 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 148.23 33.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.7 pt -112.9 152.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -130.75 152.59 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -136.56 161.36 36.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.1 98.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 17.5 mm-40 -113.07 167.82 10.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.92 61.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.29 176.34 10.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -75.21 -62.76 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' LYS . 16.8 p30 -109.31 158.29 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 21.6 mttp -39.55 -56.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -43.46 -73.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 84' ' ' LEU . 24.7 mt -41.35 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.13 -39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -66.31 -58.69 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.798 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.8 mt-30 -47.33 -50.3 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.87 -44.74 70.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -64.2 -63.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.68 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.3 tp -45.51 -36.92 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 1.2 t -56.64 -49.79 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -69.71 -47.88 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 28' ' ' ALA . 41.9 t -48.69 -52.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -54.6 -51.57 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.86 -44.77 86.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.774 HD22 HG11 ' A' ' 102' ' ' VAL . 31.7 mt -55.11 -58.13 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -53.18 -57.52 10.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -49.47 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.581 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.3 mt -44.54 -48.91 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.52 53.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.774 HG11 HD22 ' A' ' 97' ' ' LEU . 64.0 t -113.59 -44.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.5 pt -108.31 168.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -117.95 144.5 45.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.74 133.33 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.406 ' CD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -80.32 128.61 33.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.045 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.1 t -102.59 -19.6 14.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.85 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.22 158.63 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 121.23 6.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 m -76.95 -58.8 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -173.4 111.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 116.66 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.68 118.25 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.37 176.62 28.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -134.25 151.25 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -114.12 160.53 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.14 101.54 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 177.33 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' GLU . 12.4 pt-20 39.65 45.83 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -54.95 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 mm-40 -137.72 67.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.45 94.38 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -142.52 146.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.84 113.61 26.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -85.65 -75.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -92.28 -36.23 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.99 53.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.9 -43.56 82.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.45 -55.68 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -53.88 -62.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.64 101.66 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 3.3 m-20 -81.09 68.95 7.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 39.5 m95 -112.01 107.68 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' LEU . 6.1 p -102.38 151.95 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.5 mt -37.4 -48.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.04 -63.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.6 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 31.6 m120 -49.94 -61.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -35.89 -65.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.92 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -41.86 -63.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 11.1 tpt180 -35.78 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.844 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.3 tp -45.41 -59.82 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.0 -30.29 46.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.44 -30.71 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' OH ' HD12 ' A' ' 66' ' ' ILE . 64.0 t80 -77.22 -29.68 54.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.9 m-30 -81.99 -25.5 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -85.93 -39.21 17.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -66.85 -58.91 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -69.82 -22.14 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 2.1 mtmt 86.67 15.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.6 mt -74.84 167.47 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.536 ' N ' HG22 ' A' ' 41' ' ' ILE . 3.3 pt20 -137.38 124.84 22.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.44 125.08 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -106.47 159.09 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.844 ' OH ' HD23 ' A' ' 32' ' ' LEU . 83.7 m-85 -104.68 126.14 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -95.21 104.27 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 99.2 m-85 -90.41 122.45 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.5 m -113.52 109.78 19.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.7 tm0? -76.23 130.06 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -135.42 173.87 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.71 178.54 9.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.95 157.73 42.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 11.2 t70 -53.16 -58.38 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.6 p-80 -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.3 t30 -137.48 87.11 2.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 53' ' ' ASP . 3.0 ptp180 -117.59 170.79 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -152.93 127.36 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 61.6 m-85 -89.02 99.98 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.91 104.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.26 111.05 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.63 146.82 42.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.53 ' SD ' HD21 ' A' ' 32' ' ' LEU . 24.7 ttm -150.95 147.34 27.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.478 HG23 ' HB2' ' A' ' 74' ' ' PHE . 26.6 m -138.59 140.75 39.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 pt -140.32 159.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 10.6 t80 -120.77 134.8 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.565 HD12 ' OH ' ' A' ' 35' ' ' TYR . 18.3 mm -113.04 113.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.681 ' HG2' HD23 ' A' ' 69' ' ' LEU . 1.6 tt0 -57.89 -38.79 76.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HG2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -93.09 -21.61 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.42 87.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -171.64 2.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.42 148.72 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 93' ' ' LEU . 12.5 pt -115.01 136.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -113.78 155.51 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -140.66 159.99 40.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.06 101.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -176.7 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 66.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.6 169.09 38.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.7 m -75.59 -62.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -104.2 161.03 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -44.06 -58.64 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LEU . 4.8 mptt -44.25 -73.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 85' ' ' ALA . 25.9 mt -37.9 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.9 -60.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -50.89 -55.29 17.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.529 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -48.74 -55.33 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.685 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.6 t -52.5 -57.84 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -44.5 -66.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.9 tp -41.2 -37.96 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -56.91 -55.51 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.3 t -53.2 -68.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 33.8 mtt-85 -38.7 -57.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -57.21 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 mt -40.91 -56.96 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -54.06 -51.96 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.423 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -48.16 -53.04 18.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 69' ' ' LEU . 5.6 mt -60.41 -46.83 88.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.85 45.38 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 69' ' ' LEU . 18.1 t -104.45 -44.65 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.437 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.4 pt -101.39 176.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.26 149.49 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.1 133.09 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.6 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 4.2 t80 -58.63 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 m -120.73 -97.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.81 130.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.21 163.34 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.27 81.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.7 p -141.97 -56.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -173.85 166.47 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -145.25 81.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.22 -155.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -159.2 177.95 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 p -144.76 170.43 16.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.77 51.88 3.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mt -122.56 61.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -80.85 55.49 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 p -64.97 84.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 59.89 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.64 93.79 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.9 t -132.91 150.83 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.634 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 7.3 p30 -117.07 155.47 29.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 -75.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -79.32 -38.58 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . . . -58.09 -22.6 51.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.3 -44.98 32.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -56.29 -47.12 79.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -61.3 -68.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.17 103.23 2.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.5 46.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 24.6 m95 -85.29 106.39 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.478 HG23 ' OD1' ' A' ' 27' ' ' ASN . 8.7 p -99.03 151.23 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.964 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.1 mt -37.47 -50.52 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -57.8 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.613 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 30.6 m120 -51.2 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.67 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.99 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -34.66 -66.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 2.1 mmm180 -43.9 -52.28 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.6 tp -40.34 -52.92 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -56.17 -44.41 79.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 6.3 mm-40 -60.98 -46.05 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.578 ' OH ' HD12 ' A' ' 66' ' ' ILE . 84.8 t80 -57.7 -35.77 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 14.3 m-30 -79.9 -18.62 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.38 -49.11 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -61.77 -58.08 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 3.0 mm-40 -69.84 -14.5 62.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 26.52 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 42' ' ' GLN . 30.0 mt -81.04 164.51 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.8 mt-30 -131.28 130.75 43.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.82 128.54 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.36 -175.53 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -112.01 132.77 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 104.99 16.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -90.16 122.42 33.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 m -113.02 118.75 35.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 5.3 tt0 -80.63 117.83 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 57' ' ' SER . 15.8 m -117.88 -179.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.56 -179.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.447 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -53.18 59.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 2.8 p80 -43.92 -40.15 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 5.3 t-20 -144.29 84.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 5.2 ptt-85 -119.34 -175.69 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -162.3 120.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.89 109.93 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 HG11 ' A' ' 50' ' ' VAL . 14.2 mt -78.43 104.48 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.08 110.38 21.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -116.53 142.66 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.474 ' SD ' HD21 ' A' ' 32' ' ' LEU . 32.5 ttm -141.26 149.44 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 17.4 m -139.59 137.41 35.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.617 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.45 155.17 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.6 138.34 52.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.7 mm -112.75 119.6 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -37.76 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.5 pt20 -62.8 -17.8 61.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -103.72 -38.08 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.58 10.55 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 -172.01 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 149.4 41.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.74 154.22 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -132.73 151.98 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -137.26 158.2 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 6.3 ttm180 -170.8 99.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.34 179.23 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.9 65.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.03 -177.22 7.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -62.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -105.08 161.57 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -44.91 -56.74 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 1.8 tptt -46.39 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 84' ' ' LEU . 19.3 mt -42.94 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -37.19 -42.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -65.51 -56.87 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.964 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 mt-30 -44.53 -59.74 2.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.24 -53.81 12.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.728 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.27 -63.03 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -41.25 -70.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.588 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.2 tp -40.1 -38.46 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -55.24 -51.89 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.47 -44.86 81.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 28' ' ' ALA . 16.0 t -52.31 -63.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -56.57 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -53.37 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -45.86 -58.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 12.4 t80 -49.79 -61.82 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -42.22 -58.42 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.6 mt -51.0 -50.58 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.14 42.48 0.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.13 -39.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.6 pt -112.02 164.72 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' ALA . 15.3 pt-20 -116.04 141.88 47.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -40.34 148.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.613 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.4 t80 -70.77 -164.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -114.21 -99.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t 62.48 119.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.21 153.23 4.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 107.61 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.16 91.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.82 -59.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -117.76 157.22 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 156.53 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.57 -133.47 5.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.135 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.93 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -87.25 157.33 19.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 87.73 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -144.03 137.27 27.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.0 106.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.6 m -79.33 87.01 5.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' GLU . 9.7 mt-10 -155.14 93.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER 57.69 114.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p -146.8 151.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.24 162.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 16' ' ' ASN . 1.3 tm? -123.53 -68.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.456 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -83.93 -41.49 17.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.84 -51.45 29.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.14 -16.12 32.36 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.53 -52.64 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -53.72 -50.9 64.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.95 93.55 0.91 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.27 71.45 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.793 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -101.36 105.55 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.053 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 12.8 p -94.84 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.92 ' HG ' HD22 ' A' ' 91' ' ' LEU . 5.3 mt -35.02 -48.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.602 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 13.9 m120 -49.95 -61.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.94 -65.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -38.87 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.79 -63.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 17.6 tpt180 -38.46 -58.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.785 HD23 ' OH ' ' A' ' 45' ' ' TYR . 28.7 tp -41.6 -54.95 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -58.02 -39.51 78.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.4 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 44.6 t80 -61.9 -32.4 72.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.5 m-30 -83.6 -20.91 32.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -86.71 -35.54 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -74.44 -58.45 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -13.46 62.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.89 28.12 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 42' ' ' GLN . 67.2 mt -83.16 165.21 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 41' ' ' ILE . 82.7 mt-30 -129.43 132.1 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.42 134.41 4.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -120.04 161.14 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.785 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.0 m-85 -102.85 127.5 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.97 105.33 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 45' ' ' TYR . 15.0 m-85 -90.58 120.77 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.7 m -109.39 117.33 33.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -80.4 126.74 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.93 172.71 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 175.81 11.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.473 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.01 161.08 39.34 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 7.6 t70 -56.71 -56.38 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -41.76 -37.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.473 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 29.4 t-20 -147.45 86.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -117.07 166.44 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 79' ' ' GLY . 31.8 t -140.2 157.5 45.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -111.89 112.75 24.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 78' ' ' HIS . 35.0 mt -83.66 100.89 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.586 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -86.81 109.82 19.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -115.57 142.13 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ttm -147.27 138.88 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' ' 74' ' ' PHE . 15.2 m -129.5 136.77 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.2 pt -135.93 146.72 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.8 t80 -110.78 139.06 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -112.36 120.86 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -36.87 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.4 pt20 -62.86 -19.05 63.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 66' ' ' ILE . 11.8 mt -102.94 -37.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 8.84 57.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.8 -171.57 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.89 151.43 42.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.1 pt -116.26 144.76 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.589 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -124.19 152.99 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.476 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.8 157.98 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 ttp180 -171.12 97.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.03 162.56 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 59' ' ' ILE . 12.1 m170 -106.75 43.8 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.573 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . -47.55 163.26 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -117.57 165.02 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -48.85 -51.13 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -53.12 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.6 mt -40.81 -73.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.01 -61.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.9 -40.74 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.623 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.4 -52.39 40.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.733 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.5 t -50.67 -56.72 10.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.12 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.92 HD22 ' HG ' ' A' ' 25' ' ' LEU . 29.6 tp -42.91 -33.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -61.92 -55.23 31.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.06 -40.76 91.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 103' ' ' ILE . 79.0 t -54.74 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 45.5 mtm180 -38.54 -56.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -54.58 -50.87 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.625 HD22 HG11 ' A' ' 102' ' ' VAL . 34.3 mt -48.62 -49.42 37.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -64.3 -55.95 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.521 ' N ' ' CD2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -40.64 -50.99 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' NE2' ' A' ' 99' ' ' HIS . 17.3 mt -67.22 -39.84 86.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . . . 112.48 44.83 0.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.625 HG11 HD22 ' A' ' 97' ' ' LEU . 88.0 t -98.8 -63.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HG13 ' A' ' 94' ' ' VAL . 1.3 pt -69.64 -172.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' CG ' ' H ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -107.6 -127.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.51 ' H ' ' CG ' ' A' ' 104' ' ' GLU . . . -154.87 136.74 14.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.602 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t80 -59.37 -144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.65 27.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -86.98 -44.65 11.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 42.29 -165.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 98.47 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 t -106.82 153.17 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 t 63.11 129.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -120.25 152.06 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.935 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -78.0 -57.84 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.68 -74.1 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -49.41 144.75 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.41 139.5 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.02 -149.81 22.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.27 159.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -163.83 112.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 m -74.87 90.69 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -147.73 77.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.45 -145.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.25 158.8 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.11 -53.09 4.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 75.65 -158.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -67.56 -10.93 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.58 -51.56 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.46 -55.34 17.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -42.69 -57.13 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -43.29 -69.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.51 112.29 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -89.22 68.74 8.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -108.55 95.84 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.5 p -91.11 149.78 21.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 87' ' ' GLN . 0.6 OUTLIER -33.92 -42.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.077 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.31 -66.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 26.1 m120 -46.55 -59.27 3.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.23 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.41 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.58 -69.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . 27.4 tpt180 -36.59 -54.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.1 tp -43.85 -58.5 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.4 -31.84 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -72.98 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.73 -32.43 57.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.0 m-30 -81.57 -23.03 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.84 -38.47 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -58.53 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.37 -13.86 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.64 25.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -82.75 165.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.484 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -128.56 129.52 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.97 131.86 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.3 pt-20 -120.13 -174.08 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.62 ' OH ' HD23 ' A' ' 32' ' ' LEU . 22.1 m-85 -118.09 141.85 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -107.68 109.11 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.87 122.42 33.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.2 m -112.52 115.44 28.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 6.6 tm0? -78.38 122.36 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 16.1 m -126.14 174.89 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 177.79 4.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.03 162.56 36.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.69 -54.29 48.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -43.5 -36.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.612 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 53.5 t30 -147.82 86.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.9 165.57 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -144.32 128.58 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 12.6 m-85 -85.29 101.01 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -69.79 108.56 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.627 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -92.13 111.59 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -119.36 139.54 51.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 16.1 ttm -141.51 146.94 37.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 74' ' ' PHE . 12.9 m -136.68 135.82 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.524 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -134.84 152.99 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -116.67 138.56 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -111.62 120.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -38.19 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.1 pt20 -61.95 -20.34 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.2 mt -102.26 -36.4 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.08 58.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -171.87 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 151.42 40.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.24 150.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -126.3 156.8 39.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -143.71 155.34 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.82 99.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -112.74 179.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -130.18 73.9 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.51 170.5 53.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -72.78 -55.51 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.8 p30 -115.42 170.99 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -49.93 -57.21 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -44.77 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' ALA . 29.9 mt -39.47 -65.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.627 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.02 -55.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -60.1 -56.13 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -36.57 -65.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -57.61 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.701 ' O ' HD22 ' A' ' 93' ' ' LEU . 4.4 t -41.57 -59.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.62 -68.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 28.6 tp -41.03 -32.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.29 -54.47 40.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -65.17 -40.8 94.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 28' ' ' ALA . 14.7 t -57.41 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -38.98 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -59.56 -55.01 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.734 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -43.25 -52.72 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.41 -59.46 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.07 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.0 mt -49.33 -49.06 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.9 56.45 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.734 HG11 HD22 ' A' ' 97' ' ' LEU . 91.7 t -116.67 -44.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.2 pt -106.84 174.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ALA . 8.7 pt-20 -126.34 145.76 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -38.79 154.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.53 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 7.2 t80 -93.25 179.74 5.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -136.55 119.59 16.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.04 -68.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.28 -161.1 22.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.17 28.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 t 57.35 94.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -178.39 118.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -147.18 156.08 42.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.955 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.45 166.44 32.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -122.85 144.66 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -166.08 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.41 123.01 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.89 113.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.97 -7.77 10.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t 65.17 7.94 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -145.36 55.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -129.02 89.5 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -124.88 143.16 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -91.19 173.42 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -74.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -90.19 -46.08 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.26 -20.69 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.94 -44.67 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.89 -52.87 61.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.78 -66.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.605 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.61 107.29 0.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 19.6 m-20 -88.1 52.0 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -87.06 142.72 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.7 p -126.39 154.42 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 87' ' ' GLN . 7.6 mt -60.72 -38.49 85.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.75 -69.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.605 ' CG ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -52.4 -49.94 63.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 27' ' ' ASN . . . -38.26 -51.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.35 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -46.9 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' ALA . 14.9 tpt180 -35.56 -55.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.0 tp -44.75 -51.46 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ALA . 48.8 m-80 -62.55 -35.17 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -67.08 -31.92 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.453 ' OH ' HD12 ' A' ' 66' ' ' ILE . 38.4 t80 -74.14 -29.71 61.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.4 -24.54 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -87.57 -36.06 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -70.1 -58.44 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.35 -10.96 60.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.05 24.36 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.7 mt -83.21 165.58 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.5 mm100 -130.16 131.88 45.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.31 132.79 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.94 168.66 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.808 ' OH ' HD23 ' A' ' 32' ' ' LEU . 84.5 m-85 -102.91 132.16 49.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 107.43 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -90.93 125.46 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -113.86 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.7 tt0 -85.04 119.61 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 13.5 m -119.24 -178.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 -179.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 156.32 43.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.59 -48.14 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -47.57 -45.71 27.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -139.14 84.62 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -119.16 -177.41 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -160.19 121.32 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 59.1 m-85 -80.73 111.61 17.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 77' ' ' GLU . 5.8 mt -81.25 102.58 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.47 109.91 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -117.43 138.33 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 ttm -141.77 142.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 m -129.78 144.29 51.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 pt -144.26 153.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 15.8 t80 -117.94 136.77 53.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.545 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.4 mm -112.47 114.44 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -39.17 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.1 pt20 -61.84 -14.5 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -107.27 -38.15 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.04 8.49 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -139.14 -172.67 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.54 148.26 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 64' ' ' ILE . 24.9 pt -108.39 159.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -139.12 152.4 47.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -140.79 153.79 45.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 tmm_? -169.45 98.72 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 9.9 mm-40 -114.61 163.75 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.88 61.94 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.19 157.33 36.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.427 ' HB2' HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.06 -58.18 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.73 155.25 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -41.35 -47.21 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 18.6 mt -48.25 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.3 -60.25 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.04 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.712 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.8 mm100 -44.34 -68.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -40.48 -54.83 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.852 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -49.65 -64.46 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.36 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.576 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.4 tp -43.47 -37.88 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -75.01 -45.33 42.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.914 ' O ' HD11 ' A' ' 103' ' ' ILE . 60.7 t -51.4 -54.01 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.414 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 4.5 mtp85 -54.41 -59.83 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' O ' HD12 ' A' ' 100' ' ' LEU . 4.4 mt-30 -48.22 -39.37 20.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -62.63 -53.12 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.409 ' CA ' HG13 ' A' ' 103' ' ' ILE . 5.5 t80 -56.71 -60.1 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.73 -61.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.584 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 9.6 mt -49.19 -50.88 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.72 50.48 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 97' ' ' LEU . 90.8 t -113.38 -34.77 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 94' ' ' VAL . 17.8 pt -122.13 166.82 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 105' ' ' ALA . 3.8 pm0 -117.51 140.66 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -32.36 144.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.519 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 3.2 t80 -51.45 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 38.52 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.79 158.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.89 30.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 65.18 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.764 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.2 p -89.75 -62.6 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 54.3 p -125.71 -60.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.84 93.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 110.053 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.96 131.31 55.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 176.79 21.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -162.18 167.67 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -174.79 145.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.3 107.36 2.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -129.59 123.56 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -154.48 99.95 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.1 t -94.88 26.15 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -149.89 87.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.49 92.36 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.52 147.44 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.16 86.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 51.69 -170.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.39 -22.94 63.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -54.04 22.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -44.61 -58.5 4.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -43.19 -62.32 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -51.03 -63.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.06 107.31 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 9.1 m-20 -76.6 67.1 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -112.89 100.48 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.498 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.0 p -97.35 144.63 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.5 mt -32.0 -41.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -63.13 -67.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.637 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 32.5 m120 -44.98 -59.3 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.58 -56.67 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -49.05 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.77 -63.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.8 tpt180 -36.58 -59.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.775 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.3 tp -44.79 -52.55 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.34 -32.47 71.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -73.95 -31.31 62.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.36 -24.46 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -87.53 -37.4 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -68.51 -55.28 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.19 -17.2 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 78.82 21.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 60.6 mt -78.29 165.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 7.8 pt20 -130.92 127.2 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.31 128.6 1.91 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' HE3' ' A' ' 62' ' ' MET . 2.5 pt-20 -112.86 -174.84 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.775 ' OH ' HD23 ' A' ' 32' ' ' LEU . 41.6 m-85 -117.22 139.13 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 115.06 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 50.5 m-85 -90.39 119.82 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 m -108.64 112.77 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -79.84 125.35 29.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -127.49 174.34 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.25 176.56 3.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.98 163.4 35.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -58.3 -55.16 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -35.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.7 t-20 -148.77 86.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.96 166.62 11.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -142.81 132.37 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -91.07 107.19 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 mt -79.37 114.57 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.74 111.33 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -119.82 143.7 47.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 44' ' ' GLU . 23.5 ttm -148.5 149.81 32.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 73' ' ' ILE . 99.6 m -137.45 145.01 42.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -143.23 158.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 7.3 t80 -118.86 134.02 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.4 mm -106.49 116.95 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -38.21 53.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.524 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.0 pt20 -60.35 -14.25 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 66' ' ' ILE . 10.7 mt -109.54 -37.16 5.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.26 3.64 57.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.82 -172.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.55 156.8 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.928 HD12 ' HG3' ' A' ' 96' ' ' GLN . 2.0 pt -116.33 174.64 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -150.34 161.83 41.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -152.07 159.75 43.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 4.6 tmm_? -175.75 105.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -124.72 174.7 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -119.16 110.86 17.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 141.36 16.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -52.32 -48.4 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -122.19 142.81 50.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 2.1 mtmp? -40.26 -46.55 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -57.56 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -62.52 -55.42 27.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -40.35 -66.72 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.58 -51.05 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.82 -64.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -43.3 -57.31 3.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.739 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -47.58 -60.97 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.29 -63.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.72 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 52.3 tp -45.9 -43.37 13.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.3 t -50.23 -53.45 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.739 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -66.78 -44.33 81.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.951 ' O ' HD11 ' A' ' 103' ' ' ILE . 59.6 t -51.23 -46.15 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -59.95 -72.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.928 ' HG3' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -43.33 -37.02 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD22 HG11 ' A' ' 102' ' ' VAL . 18.5 mt -59.52 -58.12 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.6 -57.17 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -40.21 -63.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 8.2 mt -51.33 -47.38 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.44 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 97' ' ' LEU . 45.8 t -109.28 -45.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.951 HD11 ' O ' ' A' ' 94' ' ' VAL . 12.7 pt -103.36 177.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.79 145.39 51.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.15 139.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.637 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 3.0 t80 -63.04 -177.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.26 30.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.569 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 5.8 t -38.94 -63.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.93 166.78 30.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.41 5.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.64 109.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.63 90.69 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -167.63 97.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p 56.58 167.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -129.39 1.93 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 62.91 124.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 p -120.96 145.93 47.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 103.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.05 58.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLU . 11.5 pt-20 40.03 52.72 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 p -55.91 87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' GLU . 5.6 mt-10 -134.8 133.32 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.58 93.87 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -130.93 150.73 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.67 93.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.5 mm? 52.2 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -69.53 -22.75 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.27 20.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -47.29 -58.21 6.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' GLY . 40.1 mt -40.54 -59.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -42.8 -51.92 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.604 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.08 99.14 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.5 m120 -81.24 65.51 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 21.8 m95 -109.99 104.5 13.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 27' ' ' ASN . 11.4 p -105.34 156.05 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.0 mt -37.85 -50.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.611 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 21.3 m120 -49.52 -62.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -37.21 -61.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.54 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -45.3 -62.3 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 18.2 tpt180 -35.64 -64.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 10.6 tp -39.42 -60.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -44.5 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.28 -53.93 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -50.76 -31.25 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-30 -83.26 -21.77 33.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -84.18 -35.76 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.92 -57.95 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.36 -15.12 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 24.34 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.0 mt -81.68 164.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.0 pt20 -130.53 128.81 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.37 123.83 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -108.45 162.71 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.2 m-85 -101.45 130.65 47.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.68 103.86 15.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 13.5 m-30 -90.36 118.09 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -107.88 105.39 15.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 57.1 tt0 -75.86 137.49 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' SER . 16.0 m -154.78 170.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 80.15 174.19 46.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 147.15 33.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -43.54 -52.44 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -44.64 -37.47 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' PRO . 10.9 m-20 -143.46 86.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 21.3 mmt180 -95.37 145.24 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.68 110.45 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 49' ' ' GLN . 55.3 m-85 -90.65 102.08 14.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.5 mt -73.44 108.08 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.26 111.01 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.5 146.9 42.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 ttm -155.33 129.71 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.56 HG23 ' HB2' ' A' ' 74' ' ' PHE . 21.2 m -120.13 137.58 54.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.1 pt -136.13 149.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 7.5 t80 -115.26 138.86 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -112.66 119.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -37.61 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.52 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.5 pt20 -62.7 -16.78 58.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.694 HD11 HG23 ' A' ' 102' ' ' VAL . 11.0 mt -106.69 -31.99 8.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.85 8.63 69.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.59 ' NH2' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -136.35 -171.73 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 152.85 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 93' ' ' LEU . 37.4 pt -119.43 131.25 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -110.04 153.45 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.37 156.69 46.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -174.46 97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 41.4 mm-40 -110.52 -174.82 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -138.93 70.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.39 163.56 54.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -60.22 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -103.71 153.34 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 50.5 mttt -40.13 -49.46 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -50.71 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ALA . 26.2 mt -38.27 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.89 -56.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.709 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -52.71 -54.15 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.833 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -47.48 -59.47 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.541 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.91 -38.79 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.775 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.6 t -67.05 -60.43 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.509 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.61 -69.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.817 HD22 ' HD3' ' A' ' 95' ' ' ARG . 0.9 OUTLIER -38.73 -57.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' LEU . 1.3 t -36.93 -50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -72.72 -58.73 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 97' ' ' LEU . 98.2 t -48.81 -73.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.817 ' HD3' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -36.98 -50.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 92' ' ' SER . 31.2 mt-30 -59.47 -46.17 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.0 mt -52.86 -55.52 22.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.76 -52.15 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -51.36 -56.28 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.59 HD11 ' NH2' ' A' ' 71' ' ' ARG . 20.3 mt -53.93 -49.99 67.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.6 49.19 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.694 HG23 HD11 ' A' ' 69' ' ' LEU . 40.9 t -111.59 -47.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 94' ' ' VAL . 12.8 pt -101.98 162.39 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 4.0 pt-20 -96.48 -151.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 104' ' ' GLU . . . -111.33 132.31 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.611 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t80 -54.17 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.05 29.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.548 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -39.5 152.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.99 162.77 30.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.34 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.67 114.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -144.77 -59.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -121.75 100.86 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.61 129.19 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.12 117.79 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -158.87 156.28 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.03 164.28 35.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 94.99 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.82 158.57 21.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -132.36 85.4 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t -104.59 17.81 23.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.9 123.09 14.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -150.93 102.02 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 p -144.17 144.53 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -169.45 131.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -124.52 -76.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -85.12 -35.48 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.9 -51.55 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -53.8 42.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.84 -54.64 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -47.33 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.1 114.06 0.12 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' HB3' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -87.46 64.05 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 23.5 m95 -115.74 88.02 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -97.24 149.83 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.2 mt -34.21 -37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -68.37 -62.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' ALA . 35.8 m120 -50.07 -65.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.24 -55.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.02 -74.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.03 -64.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.21 -57.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' OH ' ' A' ' 45' ' ' TYR . 13.9 tp -39.52 -55.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.32 -43.94 79.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -58.5 -50.21 74.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.584 ' OH ' HD12 ' A' ' 66' ' ' ILE . 59.3 t80 -53.17 -33.98 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.773 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 18.0 m-85 -84.74 -18.76 34.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -42.26 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -71.9 -50.55 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -70.29 -14.12 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 70.36 21.39 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.8 mt -82.83 164.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.473 ' N ' HG22 ' A' ' 41' ' ' ILE . 51.8 mt-30 -128.44 129.53 46.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.54 137.11 5.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.06 164.95 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.825 ' OH ' HD23 ' A' ' 32' ' ' LEU . 91.9 m-85 -106.01 130.66 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -98.33 103.56 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.5 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 94.4 m-85 -90.08 119.08 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -106.67 117.94 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.5 tm0? -80.78 128.25 33.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.5 172.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.96 17.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.01 159.26 41.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.72 -55.09 33.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -42.48 -39.84 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.615 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 37.7 t-20 -145.31 85.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.72 163.61 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' ' NE2' ' A' ' 78' ' ' HIS . 69.2 m -129.75 -172.3 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -142.13 107.82 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.1 mt -80.57 104.45 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.9 110.65 21.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -118.06 141.47 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -145.19 138.6 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 74' ' ' PHE . 6.9 m -125.85 135.24 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.773 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.7 pt -137.29 156.24 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 3.5 t80 -121.09 137.13 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.584 HD12 ' OH ' ' A' ' 35' ' ' TYR . 11.3 mm -113.0 122.21 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -33.19 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.5 pt20 -65.57 -9.75 29.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG12 ' A' ' 102' ' ' VAL . 21.6 mt -112.81 -37.57 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 7.34 57.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 -171.94 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 HG21 ' A' ' 63' ' ' THR . 0.0 OUTLIER -139.56 152.79 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.532 HG13 HD12 ' A' ' 93' ' ' LEU . 37.4 pt -116.18 148.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -125.41 150.16 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.19 155.15 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -168.64 86.96 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -94.45 171.62 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 7.5 t-160 -124.14 45.38 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.06 -177.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -64.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -100.31 152.75 19.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 5.3 mttt -41.14 -51.01 3.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LEU . 9.7 mmpt? -52.23 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.9 mt -39.4 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.24 -64.78 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.88 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.22 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.6 m -51.02 -45.53 61.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.762 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.0 t -52.72 -53.84 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.762 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -51.55 -69.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.535 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 38.4 tp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.13 -50.64 73.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -71.89 -54.17 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 97' ' ' LEU . 61.4 t -47.71 -47.15 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' CZ ' HD21 ' A' ' 91' ' ' LEU . 60.1 mtt180 -54.19 -56.86 14.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -55.85 -50.58 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 94' ' ' VAL . 55.1 mt -44.26 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -45.38 -37.72 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -63.71 -57.13 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.1 mt -53.63 -50.45 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.11 42.26 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.841 HG12 HD11 ' A' ' 69' ' ' LEU . 2.0 m -95.52 -50.96 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.561 HG23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -99.93 -169.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ALA . 1.2 pt-20 -139.73 137.57 35.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -39.4 119.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -58.45 -159.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.96 32.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -49.02 161.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.43 129.52 9.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 112' ' ' SER . 18.2 Cg_endo -75.01 55.66 4.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.2 t 68.62 -67.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 110' ' ' PRO . 3.4 m -164.88 100.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -173.97 108.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -176.4 165.83 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.23 167.53 25.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.61 125.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 110.043 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -175.85 158.48 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.59 150.67 19.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.692 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -157.87 26.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -72.69 73.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.2 p -94.36 86.05 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.34 67.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.48 87.36 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -77.02 -174.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -137.87 175.42 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -69.78 -9.03 53.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -48.91 -44.55 40.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.96 -27.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' ALA . 6.3 mp -85.44 -52.54 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 17' ' ' ALA . 28.8 p80 -96.21 -62.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 104.44 117.4 4.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -89.36 72.24 8.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -119.14 94.47 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' OD1' ' A' ' 27' ' ' ASN . 17.6 p -94.87 153.3 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 91' ' ' LEU . 5.7 mt -36.03 -43.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 37.4 mt-10 -67.25 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' A' ' 24' ' ' THR . 29.4 m120 -41.1 -61.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -39.61 -57.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -69.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.68 -65.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.1 tpt180 -38.59 -58.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.912 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.6 tp -41.29 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -58.69 -41.26 85.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 5.6 mm-40 -59.8 -43.92 94.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.603 ' OH ' HD12 ' A' ' 66' ' ' ILE . 72.5 t80 -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.8 m-85 -84.53 -20.91 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.29 -30.1 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.34 -54.24 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.6 mm-40 -74.5 -15.73 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.13 19.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 42' ' ' GLN . 17.9 mt -79.54 164.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 41' ' ' ILE . 45.2 mt-30 -132.39 131.54 41.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.97 127.43 2.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -106.79 159.55 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.912 ' OH ' HD23 ' A' ' 32' ' ' LEU . 78.4 m-85 -106.82 126.63 52.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -96.06 103.94 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.9 126.06 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m -112.71 106.26 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 57.0 tt0 -75.78 136.89 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -154.72 173.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 81.5 176.45 51.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.02 145.13 31.0 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -44.39 -49.11 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.605 ' CE1' ' HB2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.06 -33.89 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.605 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 0.7 OUTLIER -146.99 86.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 20.2 mmt180 -96.49 145.98 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.34 112.61 15.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 27.6 m-85 -90.98 101.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 5.2 mt -71.3 112.81 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.746 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -97.07 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.92 138.91 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.58 ' HE1' ' CE1' ' A' ' 45' ' ' TYR . 33.0 ttm -141.78 142.57 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.8 m -129.92 131.63 46.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -132.16 154.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -120.96 135.07 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.603 HD12 ' OH ' ' A' ' 35' ' ' TYR . 13.1 mm -110.66 113.51 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -34.33 72.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 69' ' ' LEU . 2.1 tt0 -54.35 -32.19 56.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.793 HD12 HH11 ' A' ' 71' ' ' ARG . 14.7 mt -102.04 -32.94 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.03 59.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.988 ' NH2' HG23 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -128.19 -174.68 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.58 148.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.988 HG23 ' NH2' ' A' ' 71' ' ' ARG . 42.2 pt -115.19 147.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.65 ' HB2' HG23 ' A' ' 63' ' ' THR . 2.3 t80 -123.29 149.99 44.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -132.97 157.11 45.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -169.81 84.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.64 179.86 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -137.19 96.07 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.81 179.2 34.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -68.95 -56.99 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' OD1' HD23 ' A' ' 84' ' ' LEU . 23.3 p30 -125.8 170.71 11.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -41.14 -56.04 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -43.01 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.3 mm? -39.97 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -34.46 -64.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.17 -54.68 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.489 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.7 mt-30 -50.43 -70.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.3 m -41.22 -45.38 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.731 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -54.31 -60.03 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.7 -65.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.617 ' CD2' ' HD2' ' A' ' 95' ' ' ARG . 3.9 mt -38.78 -57.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' LEU . 2.7 t -37.93 -53.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.5 mm? -69.26 -50.54 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 28' ' ' ALA . 46.5 t -48.03 -75.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.617 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -37.17 -56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -51.01 -50.12 59.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 102' ' ' VAL . 34.8 mt -50.24 -53.09 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -57.99 -52.95 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -50.2 -54.15 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.579 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.455 HD13 ' NH1' ' A' ' 71' ' ' ARG . 19.7 mt -58.22 -47.94 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.34 57.97 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 97' ' ' LEU . 95.1 t -120.7 -50.78 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 94' ' ' VAL . 7.6 pt -95.63 -172.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.77 145.67 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.7 148.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -91.59 161.18 15.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.8 32.46 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.558 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -50.3 -53.26 29.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.84 138.21 3.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.33 18.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.83 -59.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.37 110.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p 179.69 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -177.95 159.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.69 -74.83 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p 47.23 95.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -156.17 112.4 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.07 100.85 2.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.03 174.22 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' GLU . 12.3 pt-20 41.45 49.17 3.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 m -61.06 83.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -138.25 117.11 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.93 50.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -135.81 158.86 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.53 174.18 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.53 -73.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.546 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 3.8 m-20 -89.52 -45.34 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . . . -59.25 -15.99 18.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.65 -26.92 40.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -95.31 -44.52 7.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.624 ' CE1' ' HA ' ' A' ' 17' ' ' ALA . 5.2 p80 -95.65 -71.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.632 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.518 ' HA2' ' HB1' ' A' ' 17' ' ' ALA . . . 116.47 132.29 4.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -81.82 57.94 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 31' ' ' ARG . 51.4 m95 -100.74 99.88 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.965 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.0 p -93.24 146.94 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.885 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.2 mt -32.78 -43.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 19.9 mt-10 -65.8 -62.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 30.2 m120 -45.86 -60.64 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.24 -65.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -72.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.57 -34.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.793 ' NH2' HG22 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -64.64 -64.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.0 tp -40.87 -57.07 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -46.74 -44.02 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -66.79 -42.38 86.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' A' ' 66' ' ' ILE . 62.5 t80 -63.29 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.0 m-30 -84.6 -24.45 29.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -87.15 -32.32 19.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.36 -55.18 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.9 mm-40 -74.64 -15.98 60.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt 77.44 16.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.5 mt -73.62 163.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.6 pm0 -133.5 127.19 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.39 134.16 4.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' SD ' ' A' ' 62' ' ' MET . 8.2 pt-20 -122.65 135.63 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 10.9 m-30 -72.56 121.6 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 106.13 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 97.2 m-85 -89.95 118.06 29.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -109.53 111.2 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -73.69 131.01 41.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -134.18 171.34 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 176.61 13.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 159.58 41.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -55.18 -55.54 30.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -42.04 -39.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 2.6 t30 -144.75 87.18 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 4.0 ptp180 -117.12 170.4 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 50' ' ' VAL . 4.5 p -152.19 138.65 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -92.81 125.09 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.31 104.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . . . -86.37 110.72 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -125.45 136.03 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 44' ' ' GLU . 1.2 tpp -140.28 141.1 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.655 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.3 m -122.72 122.55 39.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 93' ' ' LEU . 2.3 pt -123.61 141.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.44 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.0 t80 -105.47 138.02 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 69' ' ' LEU . 16.8 mm -111.17 119.6 60.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -37.84 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 7.5 pt20 -60.84 -18.36 55.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.0 mt -104.86 -37.84 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.75 6.14 57.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.872 HH21 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -135.26 -171.49 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.02 147.63 38.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.45 151.02 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HB2' HG23 ' A' ' 63' ' ' THR . 6.3 t80 -126.18 150.68 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -135.48 148.24 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -160.42 81.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 9.1 mm-40 -93.25 142.31 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 52.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.58 176.36 0.43 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -63.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.4 p30 -108.43 161.25 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -42.52 -58.91 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.65 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -40.16 -65.81 0.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.88 -53.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.597 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . . . -56.84 -69.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -37.86 -38.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m -71.54 -52.36 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.9 t -45.47 -58.84 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -46.42 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.885 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.7 tp -40.06 -34.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.33 -55.73 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 64' ' ' ILE . 2.2 mm? -67.87 -47.51 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 28' ' ' ALA . 43.7 t -49.71 -65.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -41.56 -56.11 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -54.26 -46.07 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.646 HD22 HG11 ' A' ' 102' ' ' VAL . 35.2 mt -54.99 -55.25 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CZ ' ' O ' ' A' ' 20' ' ' HIS . 7.7 t80 -54.54 -51.12 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.21 -59.9 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.872 HD21 HH21 ' A' ' 71' ' ' ARG . 10.2 mt -51.08 -45.16 61.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.05 50.71 0.38 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.646 HG11 HD22 ' A' ' 97' ' ' LEU . 74.4 t -111.26 -40.88 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.793 HG22 ' NH2' ' A' ' 31' ' ' ARG . 15.1 pt -110.7 164.33 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 23' ' ' TRP . 3.7 pt-20 -107.42 164.68 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.33 136.49 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.586 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.2 t80 -60.01 -164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' GLY . 3.3 m -112.82 -100.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 -62.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 107' ' ' SER . . . 106.03 -175.76 21.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.22 3.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.2 p -170.07 142.3 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.7 m 58.56 84.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -161.74 166.1 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.971 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -163.59 152.27 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.01 175.66 16.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.088 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 p -167.99 143.63 3.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.002 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -154.61 160.64 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.4 -144.39 21.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -171.91 33.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 4.8 tt0 -113.34 23.61 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.5 t 65.82 10.57 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.029 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mt-10 40.26 69.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' GLU . 4.2 tp10 58.59 115.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.74 145.43 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -126.34 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 87.39 -64.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.79 -48.51 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . . . -51.43 -60.85 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.48 -58.98 1.32 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.2 mt -41.72 -58.67 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -56.24 -58.08 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.21 103.99 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 4.7 m-80 -77.13 68.18 3.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CE3' ' OD1' ' A' ' 27' ' ' ASN . 12.0 m95 -108.4 125.69 52.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.48 150.8 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.89 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.9 mt -54.5 -48.13 72.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -60.81 -67.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' CE3' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -46.9 -58.67 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.845 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.05 -61.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HE3' ' HB1' ' A' ' 86' ' ' ALA . 2.9 tttt -40.35 -65.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.32 -57.1 7.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLN . 33.0 tpt85 -41.62 -61.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD21 ' SD ' ' A' ' 62' ' ' MET . 39.8 tp -40.33 -51.72 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -57.09 -50.02 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.28 -34.02 55.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 18.9 m-85 -79.26 -24.91 42.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.68 -53.1 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -53.41 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 4.2 mm-40 -68.22 -20.16 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.6 23.46 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.0 mt -82.43 164.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' N ' HG22 ' A' ' 41' ' ' ILE . 6.5 pt20 -125.96 126.39 44.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.21 125.42 1.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.21 -175.21 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 92.5 m-85 -110.56 128.87 55.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 104.57 16.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.641 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 81.8 m-85 -90.59 120.28 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' VAL . 1.8 m -107.59 114.26 28.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.58 117.72 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 HG22 ' A' ' 48' ' ' THR . 15.4 m -120.63 176.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.25 179.24 2.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 155.14 43.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.47 -50.19 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.2 p-80 -46.0 -45.7 15.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 7.0 t-20 -139.39 84.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -119.44 -179.15 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.535 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 1.1 m -157.38 133.73 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.78 103.52 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 78' ' ' HIS . 49.5 mt -72.06 106.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -87.07 109.43 19.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.16 132.96 56.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.704 ' SD ' HD21 ' A' ' 32' ' ' LEU . 28.6 ttm -137.97 141.63 40.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -129.24 141.8 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.9 pt -141.88 153.73 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 16.3 t80 -119.14 137.55 53.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.7 mm -112.11 114.4 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -39.87 65.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.9 pt20 -60.43 -16.39 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.0 mt -106.7 -38.22 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.25 9.89 57.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 -173.7 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.28 147.82 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 93' ' ' LEU . 28.6 pt -110.41 155.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.2 t80 -132.06 155.16 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -142.39 154.74 44.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -171.61 89.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 9.9 mm-40 -94.33 179.43 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.679 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.6 t-160 -131.06 49.34 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.56 -167.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -97.93 -62.18 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.05 164.74 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 10.4 mttt -42.3 -57.17 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -45.05 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -40.25 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.73 -66.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.46 -62.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -41.02 -66.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 4.7 m -41.6 -51.21 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.863 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -51.62 -62.49 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -44.0 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.89 HD22 ' HG ' ' A' ' 25' ' ' LEU . 48.2 tp -42.4 -35.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.55 -52.08 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.863 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -68.69 -39.57 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.845 HG21 ' HB1' ' A' ' 28' ' ' ALA . 60.3 t -53.78 -59.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -58.15 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -46.23 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 102' ' ' VAL . 32.5 mt -53.74 -52.88 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.08 -59.66 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.52 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.36 -60.25 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -49.77 -47.51 50.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.49 49.91 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 97' ' ' LEU . 89.3 t -111.97 -43.79 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 94' ' ' VAL . 22.4 pt -106.86 -173.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.14 147.17 36.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 106' ' ' TYR . . . -39.68 129.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -48.06 178.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.55 34.8 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.576 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 3.3 t -51.16 -58.1 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.98 -141.52 16.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -163.29 141.06 7.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -85.56 -58.8 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -98.36 88.87 4.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.038 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 125.16 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.23 59.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.48 105.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.72 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.56 135.28 1.93 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' GLU . 2.8 mt -104.25 -163.86 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -53.87 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -161.55 83.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.9 83.78 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.31 96.96 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -131.96 151.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.16 176.42 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -168.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -62.36 -14.29 38.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.44 -58.54 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.47 -53.91 18.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.6 mt -47.69 -65.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -40.12 -61.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.18 102.22 2.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.0 m120 -88.65 63.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 32.3 m95 -102.52 93.14 4.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 25' ' ' LEU . 15.7 p -85.84 146.07 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.4 mt -31.88 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.1 mm-40 -62.98 -68.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.661 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 28.0 m120 -44.71 -63.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -33.64 -68.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -46.58 -67.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -36.91 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -47.1 -54.06 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD23 ' OH ' ' A' ' 45' ' ' TYR . 38.5 tp -42.55 -50.33 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -61.48 -39.57 91.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.7 mm100 -64.65 -37.17 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -67.4 -35.0 78.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.7 m-85 -81.97 -19.76 39.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.37 -41.01 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -66.99 -53.81 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.15 -17.39 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.94 19.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 42' ' ' GLN . 66.2 mt -76.48 165.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 41' ' ' ILE . 1.2 pt20 -129.06 127.31 41.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.86 132.82 4.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.42 162.33 19.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.689 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.9 m-85 -104.57 127.48 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -92.14 102.44 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 92.9 m-85 -90.8 119.03 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 m -108.47 113.95 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -77.96 131.37 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -135.67 174.19 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.41 175.31 17.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.95 158.15 42.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.51 -56.87 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -41.28 -39.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 6.9 t-20 -145.97 85.65 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.63 163.35 16.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.8 m -129.24 -172.52 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.59 106.93 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.94 103.98 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -91.18 110.48 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -121.16 138.15 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -141.73 148.4 38.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' ILE . 91.6 m -137.35 140.41 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.485 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.52 148.91 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.2 t80 -113.38 131.96 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.509 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -105.08 113.51 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -39.02 63.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.8 pt20 -60.15 -16.18 30.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HG ' HG21 ' A' ' 66' ' ' ILE . 16.9 mt -111.57 -29.45 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.52 6.27 80.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -128.29 173.13 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -136.06 143.72 44.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 63' ' ' THR . 26.6 pt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -134.03 154.92 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -142.21 152.54 43.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -168.15 88.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.18 175.61 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 3.5 t-160 -133.62 71.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.642 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.8 -172.75 33.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -80.13 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 14.2 mttt -50.59 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mttm -39.5 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 85' ' ' ALA . 35.9 mt -39.92 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -36.68 -66.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -39.96 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.614 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -38.15 -36.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.452 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.57 -53.51 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.668 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.24 -56.85 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.859 HD22 ' HG ' ' A' ' 25' ' ' LEU . 46.3 tp -41.51 -34.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.32 -53.29 59.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -66.29 -42.45 88.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.703 HG21 ' HB1' ' A' ' 28' ' ' ALA . 79.7 t -54.26 -52.56 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.43 29.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.74 -53.0 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -47.8 -54.87 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.703 ' HB2' HD11 ' A' ' 103' ' ' ILE . 4.6 t80 -56.95 -37.47 71.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.47 -56.45 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.81 -47.47 82.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.48 42.46 0.54 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 103' ' ' ILE . 61.7 t -95.35 -73.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 98' ' ' TYR . 3.3 pt -55.74 -107.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER 172.27 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 104' ' ' GLU . . . -164.88 131.45 2.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.661 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 1.9 t80 -59.61 -176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' SER . 0.1 OUTLIER -147.55 29.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 14.9 t -39.1 -56.32 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.42 155.62 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.87 5.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.8 158.63 23.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.916 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -132.54 -58.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -126.6 -58.05 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 110.068 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.42 -61.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.48 -172.82 53.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -138.11 -68.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m 64.81 142.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.48 40.86 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.73 97.46 11.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -164.26 40.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 p -52.83 90.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' GLU . 5.0 mt-10 -166.93 -173.95 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -137.82 95.04 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.25 -168.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.629 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 1.4 m-20 -77.55 135.55 38.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.5 mm? -100.63 -75.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -85.01 -36.39 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.629 ' HB3' ' CG ' ' A' ' 14' ' ' ASP . . . -52.46 -42.81 64.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.15 -63.52 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.612 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.0 -50.79 46.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -54.39 -60.01 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.55 118.19 3.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -90.1 43.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 22.5 m95 -81.68 102.54 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 4.5 p -101.96 146.24 28.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.6 mt -34.62 -37.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mt-10 -66.02 -62.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.592 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 32.4 m120 -50.38 -63.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.83 -64.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -40.96 -64.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -36.58 -59.41 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.831 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.7 tp -40.23 -58.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -54.2 -40.57 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -61.78 -47.46 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -56.97 -29.48 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.633 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 19.6 m-85 -86.99 -31.91 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -33.26 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -53.49 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 41' ' ' ILE . 5.4 mm-40 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.49 17.87 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.1 mt -78.54 165.19 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.7 pt20 -130.04 127.86 40.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.91 136.71 5.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.19 162.29 20.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.831 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.6 m-85 -100.95 133.75 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.55 105.11 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' A' ' 82' ' ' LYS . 91.5 m-85 -90.78 123.28 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -113.09 107.62 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.69 134.76 40.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.04 -170.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.62 176.38 0.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.636 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.04 162.21 37.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.55 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.636 ' CD2' ' HB2' ' A' ' 52' ' ' PRO . 31.2 p80 -42.75 -33.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.472 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.4 t-20 -151.26 86.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 173.58 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -155.28 135.1 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -95.97 113.1 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.1 mt -77.77 104.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -118.44 139.83 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.619 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.8 ttm -145.84 134.46 22.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.7 m -120.97 136.07 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.4 pt -135.97 157.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 4.1 t80 -120.58 139.14 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.62 HG22 ' HG2' ' A' ' 68' ' ' GLN . 6.1 mm -113.13 124.82 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -29.33 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.62 ' HG2' HG22 ' A' ' 66' ' ' ILE . 1.1 pt20 -68.36 -7.98 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.584 ' CD1' HD13 ' A' ' 100' ' ' LEU . 38.8 mt -116.65 -36.75 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.93 54.25 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 2.7 ptm180 -141.3 -171.25 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.48 158.23 44.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 pt -123.49 143.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -120.45 151.76 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -138.45 155.08 48.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.0 tmm_? -171.77 98.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -113.92 176.16 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -127.53 61.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.6 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.46 -168.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m -90.23 -50.61 5.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 0.762 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -129.68 171.91 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 47' ' ' TYR . 4.7 mttt -46.54 -44.95 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -72.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 84' ' ' LEU . 2.0 mm? -46.57 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.2 -54.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 82' ' ' LYS . . . -55.15 -54.16 46.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.489 ' CB ' HD22 ' A' ' 25' ' ' LEU . 2.3 mt-30 -46.83 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -53.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.74 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -46.78 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.622 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.8 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 tp -40.85 -33.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -59.19 -52.55 65.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.74 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.96 -46.78 73.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.588 HG21 ' HB1' ' A' ' 28' ' ' ALA . 15.9 t -51.69 -56.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -45.09 -62.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -56.06 9.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD2' HG11 ' A' ' 102' ' ' VAL . 53.8 mt -44.75 -65.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -44.28 -33.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -71.79 -61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.584 HD13 ' CD1' ' A' ' 69' ' ' LEU . 12.9 mt -46.4 -52.36 13.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 125.06 47.43 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -102.41 -59.33 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.648 ' N ' HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -90.42 -170.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -135.45 141.79 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.75 141.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.592 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.3 t80 -62.29 -164.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t -117.58 -101.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.17 143.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.57 -150.41 3.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 77.47 3.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -148.05 162.68 38.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.38 -58.21 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.41 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -138.65 163.69 31.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.15 87.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.64 124.97 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -93.62 132.5 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.69 125.92 1.96 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -116.07 113.91 23.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' GLU . 8.6 pt-20 -147.03 55.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -59.62 85.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HB2' HG12 ' A' ' 13' ' ' VAL . 12.2 pt-20 -137.05 129.89 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.242 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -86.75 44.61 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 14' ' ' ASP . 3.2 p -133.66 163.07 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' N ' HG22 ' A' ' 13' ' ' VAL . 1.5 m-20 -139.57 90.12 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 46.73 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 12.7 p30 -70.98 -29.43 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 16' ' ' ASN . . . -40.36 -59.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.79 -58.82 2.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.49 -59.66 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.74 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -41.65 -68.94 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.04 105.29 0.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.3 m120 -89.91 65.14 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.489 ' HE3' ' OD1' ' A' ' 27' ' ' ASN . 9.3 m95 -104.92 134.75 47.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -128.17 146.32 50.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 91' ' ' LEU . 9.1 mt -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.3 mm-40 -59.69 -60.18 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' ' HE3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.13 -64.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -34.08 -51.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.74 -56.21 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -63.0 -59.47 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -39.55 -49.37 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 30.7 tp -51.89 -58.76 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -52.51 -33.87 47.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.65 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.91 -29.65 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.97 -27.88 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.94 -36.76 41.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -71.83 -60.52 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -66.26 -15.41 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.44 23.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 42' ' ' GLN . 23.4 mt -81.19 164.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 41' ' ' ILE . 13.7 mt-30 -128.47 130.08 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.55 134.45 3.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.5 OUTLIER -121.54 -171.34 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 29' ' ' LYS . 47.6 m-85 -113.72 138.5 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 105.41 15.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.84 120.37 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.5 m -112.83 111.16 21.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -79.1 126.26 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -131.1 172.4 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.55 177.77 14.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.02 160.87 39.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.79 -52.23 66.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -44.99 -36.62 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 19.3 t-20 -147.33 86.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.89 165.04 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -144.8 130.36 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 43.8 m-85 -89.84 105.04 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.57 105.65 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.433 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.42 109.55 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.91 136.93 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 32' ' ' LEU . 21.9 ttm -141.46 137.1 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' ILE . 87.1 m -126.79 142.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.91 154.69 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.429 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 10.0 t80 -118.63 136.41 53.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.6 mm -110.6 117.91 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -38.71 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.9 pt20 -61.92 -17.95 58.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 102' ' ' VAL . 11.0 mt -104.92 -31.85 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.04 7.2 70.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -134.78 -173.02 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.15 151.27 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . 33.2 pt -113.34 155.96 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -133.75 154.53 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.61 151.73 40.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 9.1 ttm180 -166.32 92.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.06 169.32 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.66 60.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.3 168.15 30.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -69.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -102.06 162.21 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -40.47 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -72.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.1 mt -39.01 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.05 -67.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -42.78 -65.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.491 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -35.78 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -38.03 -39.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.797 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -61.87 -58.67 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.63 -71.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 25' ' ' LEU . 62.7 tp -40.48 -36.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -57.65 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -65.66 -38.78 90.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 28' ' ' ALA . 57.6 t -58.32 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -39.17 -53.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.65 -49.92 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 102' ' ' VAL . 24.2 mt -48.76 -50.43 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.95 -55.93 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.48 -58.36 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.512 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 68.0 mt -55.19 -48.65 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.99 52.46 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.659 ' CG2' HD11 ' A' ' 69' ' ' LEU . 91.8 t -113.1 -39.43 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.8 pt -113.09 175.97 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' ALA . 1.1 pt-20 -131.6 142.4 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -37.55 125.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 0.9 OUTLIER -43.38 168.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.22 28.49 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -58.94 -55.13 39.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.51 161.25 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 100.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.12 -73.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.55 -32.36 6.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 14.8 m95 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -94.34 144.67 25.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.0 mt -33.78 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.5 mt-10 -67.98 -57.39 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' OD1' HG23 ' A' ' 24' ' ' THR . 31.3 m120 -52.08 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -38.28 -54.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -47.29 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.47 -61.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ALA . 27.0 tpt180 -38.04 -54.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 90' ' ' ALA . 18.3 tp -47.77 -57.1 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -57.84 -35.99 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.56 -44.26 94.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.84 -33.51 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 21.0 m-85 -80.55 -20.83 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.97 -45.28 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -55.24 24.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.56 -19.54 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 77.34 16.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 42' ' ' GLN . 42.9 mt -72.78 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.516 ' N ' HG22 ' A' ' 41' ' ' ILE . 9.8 pt20 -126.88 126.63 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.45 132.58 3.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.8 OUTLIER -121.29 -173.53 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.671 ' OH ' HD23 ' A' ' 32' ' ' LEU . 31.3 m-85 -116.58 144.99 43.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.42 103.74 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -90.84 118.68 30.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -112.17 111.09 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.476 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -75.53 126.43 31.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.91 172.83 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.72 177.95 12.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 162.79 36.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -58.27 -54.79 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.4 p-80 -43.08 -36.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 4.9 t30 -147.79 86.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.61 166.42 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 138.87 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -97.41 99.25 10.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.33 102.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.519 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -88.44 109.22 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -116.45 139.93 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.678 ' SD ' HD21 ' A' ' 32' ' ' LEU . 33.7 ttm -141.83 143.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 74' ' ' PHE . 8.5 m -133.86 136.27 44.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.2 pt -136.92 150.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.2 t80 -117.96 136.38 53.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.0 mm -110.11 118.33 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -37.83 54.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 9.5 pt20 -61.11 -14.91 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.679 HD11 HG23 ' A' ' 102' ' ' VAL . 17.8 mt -110.21 -34.84 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.23 7.99 63.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.77 -178.74 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.18 153.12 47.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' A' ' 97' ' ' LEU . 22.5 pt -120.1 136.96 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -116.78 155.04 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -141.42 156.23 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.562 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.8 ttp180 -167.12 95.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -106.46 -174.67 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.48 60.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -172.91 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -68.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -104.25 163.42 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -44.9 -39.74 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -64.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 85' ' ' ALA . 3.9 mm? -47.5 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.04 -54.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.99 -65.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.1 m -45.26 -50.03 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.653 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -51.68 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.75 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.728 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.2 tp -40.3 -33.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.08 -53.46 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.4 mm? -67.28 -39.22 86.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.5 t -56.27 -60.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -46.66 -47.26 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 100' ' ' LEU . 3.7 mt-30 -61.35 -50.78 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 73' ' ' ILE . 30.8 mt -49.77 -52.4 32.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.25 -26.22 67.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.588 ' CD2' HD22 ' A' ' 100' ' ' LEU . 1.3 t60 -74.54 -55.67 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.655 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.08 -46.87 84.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.66 57.58 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.679 HG23 HD11 ' A' ' 69' ' ' LEU . 95.5 t -117.04 -51.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.3 pt -95.06 -176.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 m95 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 19.0 p -89.74 149.82 22.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.7 mt -32.59 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -67.9 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ALA . 34.5 m120 -49.39 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.78 -57.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -45.36 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.76 -58.98 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' GLN . 24.9 tpt180 -36.68 -64.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.1 tp -40.44 -58.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -49.19 -45.03 43.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.4 mm-40 -59.12 -53.74 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.403 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 59.0 t80 -50.69 -33.13 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.651 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 14.1 m-30 -82.06 -20.33 38.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -86.42 -40.23 15.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -59.23 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -68.33 -11.71 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.93 25.07 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -81.77 164.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.8 pt20 -128.94 126.79 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.75 128.82 2.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -113.88 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.59 144.12 39.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.28 103.89 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -90.2 122.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -112.57 113.67 25.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -80.45 117.91 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 57' ' ' SER . 15.3 m -117.88 179.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.48 -179.34 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.03 155.77 42.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.31 -52.42 63.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.3 p-80 -44.66 -39.57 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 46.4 t30 -145.06 84.74 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -119.51 -175.91 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -161.31 122.48 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -79.81 110.77 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 59' ' ' ILE . 11.2 mt -80.05 101.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.73 108.28 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -116.98 143.61 45.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.674 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.3 ttm -144.99 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' PHE . 24.3 m -132.45 139.03 47.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.651 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.57 157.66 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -119.57 138.07 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.5 mm -111.99 118.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -38.64 52.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 12.5 pt20 -61.81 -17.9 57.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.576 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.4 mt -104.65 -35.52 7.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.62 9.35 61.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.77 -171.59 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 150.64 40.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 pt -113.65 155.9 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -133.32 151.42 51.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -137.18 156.89 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.21 97.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.32 176.9 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -126.63 99.98 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.81 156.21 18.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -57.3 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 84' ' ' LEU . 6.1 p30 -117.93 161.85 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -42.27 -63.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.2 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' ND2' ' A' ' 81' ' ' ASN . 28.3 mt -39.7 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.06 -64.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -40.7 -63.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.418 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -38.63 -46.49 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.2 -54.12 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.686 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -45.91 -59.74 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.61 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.682 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.6 tp -40.33 -35.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -58.14 -51.07 71.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -70.07 -44.79 68.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' HD11 ' A' ' 103' ' ' ILE . 57.7 t -51.66 -49.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.73 -51.61 66.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.88 -41.31 86.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 102' ' ' VAL . 32.4 mt -58.45 -55.07 39.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 2.6 t80 -57.39 -46.45 83.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -59.76 -66.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.7 mt -45.86 -49.15 15.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.19 62.54 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 97' ' ' LEU . 76.8 t -121.32 -46.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.0 pt -103.17 171.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.61 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 26.1 m95 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.5 p -98.97 144.91 27.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.821 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.4 mt -32.47 -42.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mm-40 -61.3 -66.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.6 m120 -47.28 -61.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.43 -67.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -39.96 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.93 -64.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 1.2 tmt_? -38.14 -58.19 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.915 HD23 ' OH ' ' A' ' 45' ' ' TYR . 22.8 tp -39.71 -56.62 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.64 -42.23 78.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.0 mm-40 -58.73 -48.04 82.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.39 -33.53 65.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 20.4 m-85 -83.71 -20.05 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.73 -41.14 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -71.46 -53.56 13.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CB ' HD12 ' A' ' 41' ' ' ILE . 2.8 mm-40 -71.51 -14.46 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.32 20.49 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 39' ' ' GLU . 26.8 mt -78.91 164.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.1 mt-30 -125.4 128.61 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.45 127.61 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -115.53 -176.41 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.915 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.3 m-85 -113.79 134.84 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -99.72 105.41 17.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 78.6 m-85 -90.35 120.17 31.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -112.1 107.75 16.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.8 tt0 -74.96 130.96 40.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.92 -171.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 176.13 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.605 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.05 162.04 37.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -58.45 -56.03 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.605 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.66 -33.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 1.1 t30 -151.35 86.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.68 173.07 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -154.8 135.97 13.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 54.5 m-85 -93.91 108.59 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' ' 59' ' ' ILE . 10.1 mt -73.64 100.97 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.01 107.84 17.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.15 138.34 51.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.618 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.4 ttm -141.44 143.62 33.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.3 m -133.58 137.62 45.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.52 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.4 pt -138.1 149.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.414 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 9.1 t80 -113.51 136.25 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.0 mm -110.09 118.04 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -38.25 53.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.7 pt20 -61.87 -16.98 54.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' CG2' ' A' ' 102' ' ' VAL . 12.1 mt -106.31 -34.82 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.62 62.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.433 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 1.8 ptm180 -136.44 -175.41 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -140.78 149.47 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -114.67 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -128.42 152.89 47.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -138.45 154.19 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -166.46 92.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -104.26 176.78 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 74.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.77 178.8 50.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 84' ' ' LEU . 29.0 t -78.99 -53.21 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -119.12 157.84 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 13.6 mttp -40.81 -55.63 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 3.4 mmtt -46.96 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 80' ' ' SER . 28.0 mt -39.6 -70.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -37.31 -63.78 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' CYS . . . -42.85 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -38.79 -42.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 7.8 m -65.92 -49.12 69.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -52.14 -56.9 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.64 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -45.54 -71.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.821 HD22 ' HG ' ' A' ' 25' ' ' LEU . 33.8 tp -39.61 -35.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -58.4 -55.02 40.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.5 mm? -65.62 -41.26 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 28' ' ' ALA . 42.4 t -52.91 -60.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -54.57 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.93 -49.51 71.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.582 HD22 HG11 ' A' ' 102' ' ' VAL . 30.9 mt -49.5 -53.53 22.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 4.5 t80 -62.0 -45.62 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.545 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.33 -62.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 15.5 mt -53.11 -47.37 68.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.96 58.73 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 69' ' ' LEU . 77.8 t -115.5 -47.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.2 pt -102.17 178.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 13.0 m95 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' ' 27' ' ' ASN . 16.1 p -96.85 151.19 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.9 mt -34.81 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.66 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG23 ' A' ' 24' ' ' THR . 24.1 m120 -48.34 -60.95 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -35.3 -64.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -50.73 -55.0 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.46 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 22.2 tpt180 -38.73 -56.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.981 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.7 tp -42.38 -50.29 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -62.06 -39.18 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.52 -41.23 98.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.26 -34.29 77.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.44 -21.37 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.67 -39.99 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -69.5 -53.65 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.0 mt-10 -72.01 -12.63 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 72.76 12.04 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 42' ' ' GLN . 26.9 mt -69.18 166.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.8 pt20 -128.63 125.52 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 133.16 4.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.35 164.28 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.981 ' OH ' HD23 ' A' ' 32' ' ' LEU . 75.8 m-85 -107.66 137.62 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.74 110.15 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -91.44 125.05 36.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 m -117.66 105.71 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -70.85 131.18 43.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -136.09 173.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.93 177.72 12.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.01 156.91 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.73 -56.38 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.5 p-80 -40.94 -44.34 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.7 t30 -138.53 87.07 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 171.34 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.1 p -154.27 129.05 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.37 104.37 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.464 HD11 ' HD2' ' A' ' 78' ' ' HIS . 22.7 mt -69.14 105.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.67 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.71 110.63 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.77 139.2 50.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 ttm -146.87 141.57 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.444 ' HG1' ' HD2' ' A' ' 74' ' ' PHE . 82.0 m -128.76 142.16 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -140.81 151.6 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 11.6 t80 -116.89 137.47 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 69' ' ' LEU . 21.2 mm -112.15 117.13 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -38.58 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 21.4 pt20 -61.91 -15.38 42.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -106.82 -38.07 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.83 9.07 57.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.5 -172.05 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -142.64 150.44 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.481 HG13 HD12 ' A' ' 93' ' ' LEU . 35.4 pt -114.33 148.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -127.57 151.26 49.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.437 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -137.62 157.47 46.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -170.09 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -99.2 -178.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.464 ' HD2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -135.7 60.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -163.19 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -96.65 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -106.74 162.73 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -41.06 -46.63 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -72.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -41.51 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -33.22 -57.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -38.55 -65.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.45 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 74.5 m -45.16 -57.3 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.0 OUTLIER -43.52 -55.63 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 108.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -50.18 -67.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.9 tp -39.54 -33.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.35 -54.18 44.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -68.4 -42.33 79.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.806 ' O ' HD11 ' A' ' 103' ' ' ILE . 47.8 t -54.79 -49.83 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 2.1 mtp180 -54.7 -53.18 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.92 -46.74 81.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 102' ' ' VAL . 33.8 mt -54.53 -54.43 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 4.0 t80 -54.28 -60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -44.93 -59.66 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 14.9 mt -50.2 -47.0 54.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.76 47.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 97' ' ' LEU . 79.1 t -109.01 -38.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.3 pt -112.76 -177.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 18.7 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -95.79 148.81 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.4 mt -33.79 -38.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 8.2 mt-10 -66.97 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 27.6 m120 -51.4 -62.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.04 -48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' NZ ' ' CE1' ' A' ' 45' ' ' TYR . 16.8 tptt -58.57 -73.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.64 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 22.7 tpt180 -37.56 -51.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.3 tp -48.29 -58.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -52.98 -38.0 61.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.36 -48.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -57.21 -33.93 68.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.8 m-85 -83.43 -21.32 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -83.99 -38.03 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -57.12 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -68.7 -16.54 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 73.24 25.08 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 42' ' ' GLN . 27.4 mt -82.21 165.7 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.499 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -127.44 127.31 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.44 127.7 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -115.82 -176.38 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.482 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 93.3 m-85 -109.4 156.8 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 101.93 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.628 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 93.3 m-85 -90.56 122.58 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 m -117.81 107.61 14.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.65 130.13 41.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -135.07 173.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 178.24 9.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.98 158.21 42.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.64 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -41.59 -41.42 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 32.2 t-20 -141.32 87.12 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.67 171.38 8.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.491 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -155.51 128.18 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.64 106.3 14.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.516 HG12 ' CG ' ' A' ' 78' ' ' HIS . 39.4 mt -70.97 100.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.63 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.98 108.72 18.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 32.9 ttm -143.46 151.06 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 18.0 m -139.62 137.19 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.3 pt -137.99 154.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -118.45 137.81 52.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.574 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.9 mm -112.27 118.42 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -38.61 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.13 -17.87 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -105.3 -37.31 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.82 9.47 58.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -138.55 -178.3 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 150.04 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 93' ' ' LEU . 26.6 pt -114.77 149.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -127.58 153.99 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.489 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.24 157.95 45.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -171.15 90.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.57 150.36 25.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 59' ' ' ILE . 9.2 m170 -99.37 48.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.11 176.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 t -82.73 -68.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -107.49 174.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -51.99 -60.44 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -43.53 -72.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.0 mt -40.16 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.13 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.628 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.92 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 1.5 mt-30 -39.14 -64.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.1 m -46.12 -51.17 14.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.771 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -48.3 -57.61 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -49.8 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.705 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.6 tp -39.33 -42.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -51.89 -53.53 39.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -66.54 -49.4 66.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 23.9 t -45.74 -59.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -46.54 -56.9 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.78 -49.17 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.726 HD22 HG11 ' A' ' 102' ' ' VAL . 31.9 mt -50.15 -53.27 28.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.11 -59.4 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.581 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.95 -64.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.581 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.1 mt -46.37 -50.29 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.71 57.48 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.726 HG11 HD22 ' A' ' 97' ' ' LEU . 78.7 t -117.66 -47.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.2 pt -104.52 -175.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.297 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.428 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 13.3 m95 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' LEU . 14.7 p -93.0 150.46 20.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 87' ' ' GLN . 10.6 mt -35.93 -49.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -51.85 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.0 m120 -58.44 -69.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -36.59 -40.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.5 -59.08 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -39.11 -54.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.771 HD23 ' OH ' ' A' ' 45' ' ' TYR . 27.1 tp -47.29 -58.67 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -50.64 -38.53 46.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -49.7 71.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' OH ' HD12 ' A' ' 66' ' ' ILE . 56.3 t80 -55.1 -30.49 59.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 13.1 m-30 -81.24 -25.68 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -83.76 -37.89 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -58.21 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.54 -12.09 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.21 28.25 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 42' ' ' GLN . 61.9 mt -83.38 165.23 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.477 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.3 mt-30 -129.89 132.05 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.18 131.54 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.19 -176.67 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.771 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.8 m-85 -116.03 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 108.19 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 96.4 m-85 -89.79 121.54 32.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -109.58 108.43 18.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.1 tm0? -76.97 133.45 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 30.5 m -138.17 -169.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.54 176.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.599 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.94 162.58 37.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.95 -55.82 30.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.599 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.82 -33.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.558 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 8.4 t-20 -150.7 87.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.81 173.68 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -156.49 128.08 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 67.8 m-85 -90.24 115.56 27.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.87 104.21 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB3' ' C ' ' A' ' 85' ' ' ALA . . . -88.86 109.9 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' C ' ' CD ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -115.26 154.53 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.0 ttm -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 74' ' ' PHE . 19.2 m -132.24 137.64 47.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.04 152.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -115.7 136.73 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 ' HG ' ' A' ' 69' ' ' LEU . 17.9 mm -110.39 117.09 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -38.94 57.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.55 -18.09 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -104.27 -37.95 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.03 57.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 2.2 ptm180 -138.54 -171.47 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 148.23 33.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.7 pt -112.9 152.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -130.75 152.59 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -136.56 161.36 36.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.1 98.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 17.5 mm-40 -113.07 167.82 10.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.92 61.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.29 176.34 10.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -75.21 -62.76 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' LYS . 16.8 p30 -109.31 158.29 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 21.6 mttp -39.55 -56.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -43.46 -73.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 84' ' ' LEU . 24.7 mt -41.35 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.13 -39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -66.31 -58.69 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.798 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.8 mt-30 -47.33 -50.3 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.87 -44.74 70.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -64.2 -63.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.68 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.3 tp -45.51 -36.92 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 1.2 t -56.64 -49.79 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -69.71 -47.88 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 28' ' ' ALA . 41.9 t -48.69 -52.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -54.6 -51.57 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.86 -44.77 86.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.774 HD22 HG11 ' A' ' 102' ' ' VAL . 31.7 mt -55.11 -58.13 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -53.18 -57.52 10.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -49.47 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.581 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.3 mt -44.54 -48.91 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.52 53.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.774 HG11 HD22 ' A' ' 97' ' ' LEU . 64.0 t -113.59 -44.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.5 pt -108.31 168.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 39.5 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' LEU . 6.1 p -102.38 151.95 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.5 mt -37.4 -48.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.04 -63.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.6 m120 -49.94 -61.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -35.89 -65.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.92 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -41.86 -63.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 11.1 tpt180 -35.78 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.844 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.3 tp -45.41 -59.82 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.0 -30.29 46.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.44 -30.71 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' OH ' HD12 ' A' ' 66' ' ' ILE . 64.0 t80 -77.22 -29.68 54.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.9 m-30 -81.99 -25.5 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -85.93 -39.21 17.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -66.85 -58.91 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -69.82 -22.14 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 2.1 mtmt 86.67 15.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.6 mt -74.84 167.47 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.536 ' N ' HG22 ' A' ' 41' ' ' ILE . 3.3 pt20 -137.38 124.84 22.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.44 125.08 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -106.47 159.09 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.844 ' OH ' HD23 ' A' ' 32' ' ' LEU . 83.7 m-85 -104.68 126.14 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -95.21 104.27 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 99.2 m-85 -90.41 122.45 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.5 m -113.52 109.78 19.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.7 tm0? -76.23 130.06 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -135.42 173.87 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.71 178.54 9.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.95 157.73 42.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 11.2 t70 -53.16 -58.38 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.6 p-80 -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.3 t30 -137.48 87.11 2.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 53' ' ' ASP . 3.0 ptp180 -117.59 170.79 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -152.93 127.36 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 61.6 m-85 -89.02 99.98 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.91 104.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.26 111.05 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.63 146.82 42.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.53 ' SD ' HD21 ' A' ' 32' ' ' LEU . 24.7 ttm -150.95 147.34 27.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.478 HG23 ' HB2' ' A' ' 74' ' ' PHE . 26.6 m -138.59 140.75 39.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 pt -140.32 159.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 10.6 t80 -120.77 134.8 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.565 HD12 ' OH ' ' A' ' 35' ' ' TYR . 18.3 mm -113.04 113.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.681 ' HG2' HD23 ' A' ' 69' ' ' LEU . 1.6 tt0 -57.89 -38.79 76.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HG2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -93.09 -21.61 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.42 87.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -171.64 2.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.42 148.72 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 93' ' ' LEU . 12.5 pt -115.01 136.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -113.78 155.51 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -140.66 159.99 40.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.06 101.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -176.7 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 66.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.6 169.09 38.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.7 m -75.59 -62.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -104.2 161.03 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -44.06 -58.64 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LEU . 4.8 mptt -44.25 -73.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 85' ' ' ALA . 25.9 mt -37.9 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.9 -60.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -50.89 -55.29 17.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.529 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -48.74 -55.33 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.685 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.6 t -52.5 -57.84 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -44.5 -66.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.9 tp -41.2 -37.96 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -56.91 -55.51 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.3 t -53.2 -68.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 33.8 mtt-85 -38.7 -57.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -57.21 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 mt -40.91 -56.96 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -54.06 -51.96 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.423 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -48.16 -53.04 18.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 69' ' ' LEU . 5.6 mt -60.41 -46.83 88.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.85 45.38 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 69' ' ' LEU . 18.1 t -104.45 -44.65 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.437 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.4 pt -101.39 176.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.267 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 24.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.478 HG23 ' OD1' ' A' ' 27' ' ' ASN . 8.7 p -99.03 151.23 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.964 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.1 mt -37.47 -50.52 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -57.8 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' HG23 ' A' ' 24' ' ' THR . 30.6 m120 -51.2 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.67 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.99 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -34.66 -66.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 2.1 mmm180 -43.9 -52.28 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.6 tp -40.34 -52.92 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -56.17 -44.41 79.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 6.3 mm-40 -60.98 -46.05 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.578 ' OH ' HD12 ' A' ' 66' ' ' ILE . 84.8 t80 -57.7 -35.77 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 14.3 m-30 -79.9 -18.62 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.38 -49.11 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -61.77 -58.08 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 3.0 mm-40 -69.84 -14.5 62.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 26.52 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 42' ' ' GLN . 30.0 mt -81.04 164.51 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.8 mt-30 -131.28 130.75 43.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.82 128.54 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.36 -175.53 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -112.01 132.77 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 104.99 16.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -90.16 122.42 33.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 m -113.02 118.75 35.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 3.9 tt0 -80.63 117.83 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 57' ' ' SER . 15.8 m -117.88 -179.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.56 -179.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.569 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -53.18 59.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.6 p-80 -43.92 -40.15 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 5.3 t-20 -144.29 84.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 5.2 ptt-85 -119.34 -175.69 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -162.3 120.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.89 109.93 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 HG11 ' A' ' 50' ' ' VAL . 14.2 mt -78.43 104.48 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.08 110.38 21.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -116.53 142.66 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.474 ' SD ' HD21 ' A' ' 32' ' ' LEU . 32.5 ttm -141.26 149.44 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 17.4 m -139.59 137.41 35.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.617 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.45 155.17 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.6 138.34 52.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.7 mm -112.75 119.6 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -37.76 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.5 pt20 -62.8 -17.8 61.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -103.72 -38.08 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.58 10.55 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 -172.01 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 149.4 41.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.74 154.22 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -132.73 151.98 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -137.26 158.2 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 6.3 ttm180 -170.8 99.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.34 179.23 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.9 65.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.03 -177.22 7.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -62.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -105.08 161.57 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -44.91 -56.74 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 1.8 tptt -46.39 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 84' ' ' LEU . 19.3 mt -42.94 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -37.19 -42.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -65.51 -56.87 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.964 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 mt-30 -44.53 -59.74 2.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.24 -53.81 12.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.728 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.27 -63.03 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -41.25 -70.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.588 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.2 tp -40.1 -38.46 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -55.24 -51.89 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.47 -44.86 81.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 28' ' ' ALA . 16.0 t -52.31 -63.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -56.57 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -53.37 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -45.86 -58.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 12.4 t80 -49.79 -61.82 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -42.22 -58.42 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.6 mt -51.0 -50.58 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.14 42.48 0.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.13 -39.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.6 pt -112.02 164.72 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.4 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 12.8 p -94.84 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.92 ' HG ' HD22 ' A' ' 91' ' ' LEU . 5.3 mt -35.02 -48.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' OD1' HG23 ' A' ' 24' ' ' THR . 13.9 m120 -49.95 -61.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.94 -65.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -38.87 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.79 -63.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 17.6 tpt180 -38.46 -58.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.785 HD23 ' OH ' ' A' ' 45' ' ' TYR . 28.7 tp -41.6 -54.95 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -58.02 -39.51 78.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.4 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 44.6 t80 -61.9 -32.4 72.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.5 m-30 -83.6 -20.91 32.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -86.71 -35.54 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -74.44 -58.45 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -13.46 62.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.89 28.12 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 42' ' ' GLN . 67.2 mt -83.16 165.21 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 41' ' ' ILE . 82.7 mt-30 -129.43 132.1 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.42 134.41 4.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -120.04 161.14 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.785 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.0 m-85 -102.85 127.5 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.97 105.33 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 45' ' ' TYR . 15.0 m-85 -90.58 120.77 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.7 m -109.39 117.33 33.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -80.4 126.74 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.93 172.71 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 175.81 11.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.01 161.08 39.34 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 7.6 t70 -56.71 -56.38 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.0 p-80 -41.76 -37.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 29.4 t-20 -147.45 86.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -117.07 166.44 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 79' ' ' GLY . 31.8 t -140.2 157.5 45.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -111.89 112.75 24.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 78' ' ' HIS . 35.0 mt -83.66 100.89 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.586 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -86.81 109.82 19.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -115.57 142.13 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ttm -147.27 138.88 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' ' 74' ' ' PHE . 15.2 m -129.5 136.77 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.2 pt -135.93 146.72 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.8 t80 -110.78 139.06 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -112.36 120.86 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -36.87 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.4 pt20 -62.86 -19.05 63.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 66' ' ' ILE . 11.8 mt -102.94 -37.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 8.84 57.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.8 -171.57 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.89 151.43 42.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.1 pt -116.26 144.76 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.589 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -124.19 152.99 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.476 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.8 157.98 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 ttp180 -171.12 97.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.03 162.56 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 59' ' ' ILE . 12.1 m170 -106.75 43.8 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.573 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . -47.55 163.26 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -117.57 165.02 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -48.85 -51.13 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -53.12 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.6 mt -40.81 -73.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.01 -61.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.9 -40.74 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.623 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.4 -52.39 40.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.733 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.5 t -50.67 -56.72 10.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.12 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.92 HD22 ' HG ' ' A' ' 25' ' ' LEU . 29.6 tp -42.91 -33.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -61.92 -55.23 31.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.06 -40.76 91.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 103' ' ' ILE . 79.0 t -54.74 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 45.5 mtm180 -38.54 -56.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.87 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.625 HD22 HG11 ' A' ' 102' ' ' VAL . 34.3 mt -48.62 -49.42 37.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -64.3 -55.95 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.521 ' N ' ' CD2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -40.64 -50.99 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' NE2' ' A' ' 99' ' ' HIS . 17.3 mt -67.22 -39.84 86.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . . . 112.48 44.83 0.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.625 HG11 HD22 ' A' ' 97' ' ' LEU . 88.0 t -98.8 -63.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HG13 ' A' ' 94' ' ' VAL . 1.3 pt -69.64 -172.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.7 m95 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.5 p -91.11 149.78 21.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 87' ' ' GLN . 0.6 OUTLIER -33.92 -42.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.077 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.31 -66.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 26.1 m120 -46.55 -59.27 3.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.23 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.41 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.58 -69.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . 27.4 tpt180 -36.59 -54.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.1 tp -43.85 -58.5 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.4 -31.84 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -72.98 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.73 -32.43 57.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.0 m-30 -81.57 -23.03 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.84 -38.47 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -58.53 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.37 -13.86 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.64 25.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -82.75 165.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.484 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -128.56 129.52 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.97 131.86 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.3 pt-20 -120.13 -174.08 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.62 ' OH ' HD23 ' A' ' 32' ' ' LEU . 22.1 m-85 -118.09 141.85 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -107.68 109.11 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.87 122.42 33.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.2 m -112.52 115.44 28.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 6.6 tm0? -78.38 122.36 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 16.1 m -126.14 174.89 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 177.79 4.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.03 162.56 36.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.69 -54.29 48.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.55 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -43.5 -36.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.55 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 53.5 t30 -147.82 86.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.9 165.57 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -144.32 128.58 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 12.6 m-85 -85.29 101.01 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -69.79 108.56 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.627 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -92.13 111.59 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -119.36 139.54 51.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 16.1 ttm -141.51 146.94 37.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 74' ' ' PHE . 12.9 m -136.68 135.82 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.524 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -134.84 152.99 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -116.67 138.56 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -111.62 120.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -38.19 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.1 pt20 -61.95 -20.34 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.2 mt -102.26 -36.4 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.08 58.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -171.87 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 151.42 40.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.24 150.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -126.3 156.8 39.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -143.71 155.34 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.82 99.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -112.74 179.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -130.18 73.9 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.51 170.5 53.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -72.78 -55.51 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.8 p30 -115.42 170.99 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -49.93 -57.21 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -44.77 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' ALA . 29.9 mt -39.47 -65.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.627 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.02 -55.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -60.1 -56.13 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -36.57 -65.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -57.61 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.701 ' O ' HD22 ' A' ' 93' ' ' LEU . 4.4 t -41.57 -59.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.62 -68.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 28.6 tp -41.03 -32.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.29 -54.47 40.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -65.17 -40.8 94.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 28' ' ' ALA . 14.7 t -57.41 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -38.98 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -55.01 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.734 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -43.25 -52.72 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.41 -59.46 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.07 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.0 mt -49.33 -49.06 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.9 56.45 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.734 HG11 HD22 ' A' ' 97' ' ' LEU . 91.7 t -116.67 -44.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.2 pt -106.84 174.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.9 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.7 p -126.39 154.42 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 87' ' ' GLN . 7.6 mt -60.72 -38.49 85.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.75 -69.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.605 ' CG ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -52.4 -49.94 63.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 27' ' ' ASN . . . -38.26 -51.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.35 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -46.9 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' ALA . 14.9 tpt180 -35.56 -55.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.0 tp -44.75 -51.46 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ALA . 48.8 m-80 -62.55 -35.17 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -67.08 -31.92 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.453 ' OH ' HD12 ' A' ' 66' ' ' ILE . 38.4 t80 -74.14 -29.71 61.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.4 -24.54 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -87.57 -36.06 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -70.1 -58.44 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.35 -10.96 60.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.05 24.36 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.7 mt -83.21 165.58 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.5 mm100 -130.16 131.88 45.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.31 132.79 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.94 168.66 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.808 ' OH ' HD23 ' A' ' 32' ' ' LEU . 84.5 m-85 -102.91 132.16 49.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 107.43 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -90.93 125.46 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -113.86 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.7 tt0 -85.04 119.61 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 13.5 m -119.24 -178.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 -179.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 156.32 43.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.59 -48.14 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -47.57 -45.71 27.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -139.14 84.62 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -119.16 -177.41 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -160.19 121.32 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 59.1 m-85 -80.73 111.61 17.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 77' ' ' GLU . 5.8 mt -81.25 102.58 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.47 109.91 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -117.43 138.33 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 ttm -141.77 142.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 m -129.78 144.29 51.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 pt -144.26 153.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 15.8 t80 -117.94 136.77 53.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.545 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.4 mm -112.47 114.44 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -39.17 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.1 pt20 -61.84 -14.5 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -107.27 -38.15 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.04 8.49 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -139.14 -172.67 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.54 148.26 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 64' ' ' ILE . 24.9 pt -108.39 159.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -139.12 152.4 47.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -140.79 153.79 45.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 tmm_? -169.45 98.72 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 9.9 mm-40 -114.61 163.75 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.88 61.94 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.19 157.33 36.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.427 ' HB2' HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.06 -58.18 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.73 155.25 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -41.35 -47.21 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 18.6 mt -48.25 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.3 -60.25 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.04 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.712 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.8 mm100 -44.34 -68.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -40.48 -54.83 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.852 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -49.65 -64.46 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.36 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.576 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.4 tp -43.47 -37.88 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -75.01 -45.33 42.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.914 ' O ' HD11 ' A' ' 103' ' ' ILE . 60.7 t -51.4 -54.01 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.414 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 4.5 mtp85 -54.41 -59.83 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.418 ' O ' HD12 ' A' ' 100' ' ' LEU . 4.4 mt-30 -48.22 -39.37 20.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -62.63 -53.12 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.409 ' CA ' HG13 ' A' ' 103' ' ' ILE . 5.5 t80 -56.71 -60.1 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.73 -61.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.584 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 9.6 mt -49.19 -50.88 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.72 50.48 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 97' ' ' LEU . 90.8 t -113.38 -34.77 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 94' ' ' VAL . 17.8 pt -122.13 166.82 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.498 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.0 p -97.35 144.63 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.5 mt -32.0 -41.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -63.13 -67.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.5 m120 -44.98 -59.3 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.58 -56.67 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -49.05 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.77 -63.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.8 tpt180 -36.58 -59.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.775 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.3 tp -44.79 -52.55 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.34 -32.47 71.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -73.95 -31.31 62.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.36 -24.46 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -87.53 -37.4 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -68.51 -55.28 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.19 -17.2 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 78.82 21.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 60.6 mt -78.29 165.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 7.8 pt20 -130.92 127.2 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.31 128.6 1.91 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' HE3' ' A' ' 62' ' ' MET . 2.5 pt-20 -112.86 -174.84 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.775 ' OH ' HD23 ' A' ' 32' ' ' LEU . 41.6 m-85 -117.22 139.13 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 115.06 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 50.5 m-85 -90.39 119.82 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 m -108.64 112.77 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -79.84 125.35 29.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -127.49 174.34 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.25 176.56 3.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.98 163.4 35.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -58.3 -55.16 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.3 p-80 -42.88 -35.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 33.7 t-20 -148.77 86.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.96 166.62 11.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -142.81 132.37 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -91.07 107.19 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 mt -79.37 114.57 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.74 111.33 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -119.82 143.7 47.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 44' ' ' GLU . 23.5 ttm -148.5 149.81 32.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 73' ' ' ILE . 99.6 m -137.45 145.01 42.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -143.23 158.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 7.3 t80 -118.86 134.02 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.4 mm -106.49 116.95 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -38.21 53.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.524 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.0 pt20 -60.35 -14.25 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 66' ' ' ILE . 10.7 mt -109.54 -37.16 5.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.26 3.64 57.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.82 -172.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.55 156.8 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.928 HD12 ' HG3' ' A' ' 96' ' ' GLN . 2.0 pt -116.33 174.64 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -150.34 161.83 41.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -152.07 159.75 43.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 4.6 tmm_? -175.75 105.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -124.72 174.7 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -119.16 110.86 17.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 141.36 16.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -52.32 -48.4 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -122.19 142.81 50.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 2.1 mtmp? -40.26 -46.55 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -57.56 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -62.52 -55.42 27.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -40.35 -66.72 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.58 -51.05 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.82 -64.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -43.3 -57.31 3.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.739 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -47.58 -60.97 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.29 -63.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.72 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 52.3 tp -45.9 -43.37 13.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.3 t -50.23 -53.45 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.739 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -66.78 -44.33 81.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.951 ' O ' HD11 ' A' ' 103' ' ' ILE . 59.6 t -51.23 -46.15 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -59.95 -72.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.928 ' HG3' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -43.33 -37.02 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.431 HD22 HG11 ' A' ' 102' ' ' VAL . 18.5 mt -59.52 -58.12 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.6 -57.17 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -40.21 -63.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 8.2 mt -51.33 -47.38 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.44 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 97' ' ' LEU . 45.8 t -109.28 -45.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.951 HD11 ' O ' ' A' ' 94' ' ' VAL . 12.7 pt -103.36 177.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 21.8 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 27' ' ' ASN . 11.4 p -105.34 156.05 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.0 mt -37.85 -50.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' OD1' HG23 ' A' ' 24' ' ' THR . 21.3 m120 -49.52 -62.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -37.21 -61.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.54 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -45.3 -62.3 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 18.2 tpt180 -35.64 -64.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 10.6 tp -39.42 -60.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -44.5 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.28 -53.93 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -50.76 -31.25 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-30 -83.26 -21.77 33.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -84.18 -35.76 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.92 -57.95 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.36 -15.12 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 24.34 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.0 mt -81.68 164.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.0 pt20 -130.53 128.81 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.37 123.83 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -108.45 162.71 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.2 m-85 -101.45 130.65 47.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.68 103.86 15.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 13.5 m-30 -90.36 118.09 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -107.88 105.39 15.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 57.1 tt0 -75.86 137.49 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' SER . 16.0 m -154.78 170.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 80.15 174.19 46.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 147.15 33.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -43.54 -52.44 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -44.64 -37.47 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' PRO . 10.9 m-20 -143.46 86.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 21.3 mmt180 -95.37 145.24 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.68 110.45 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 49' ' ' GLN . 55.3 m-85 -90.65 102.08 14.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.5 mt -73.44 108.08 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.26 111.01 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.5 146.9 42.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 ttm -155.33 129.71 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.56 HG23 ' HB2' ' A' ' 74' ' ' PHE . 21.2 m -120.13 137.58 54.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.1 pt -136.13 149.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 7.5 t80 -115.26 138.86 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -112.66 119.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -37.61 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.52 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.5 pt20 -62.7 -16.78 58.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.694 HD11 HG23 ' A' ' 102' ' ' VAL . 11.0 mt -106.69 -31.99 8.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.85 8.63 69.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.59 ' NH2' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -136.35 -171.73 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 152.85 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 93' ' ' LEU . 37.4 pt -119.43 131.25 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -110.04 153.45 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.422 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.37 156.69 46.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -174.46 97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 41.4 mm-40 -110.52 -174.82 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -138.93 70.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.39 163.56 54.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -60.22 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -103.71 153.34 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 50.5 mttt -40.13 -49.46 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -50.71 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ALA . 26.2 mt -38.27 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.89 -56.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.709 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -52.71 -54.15 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.833 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -47.48 -59.47 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.541 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.91 -38.79 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.775 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.6 t -67.05 -60.43 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.509 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.61 -69.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.817 HD22 ' HD3' ' A' ' 95' ' ' ARG . 0.9 OUTLIER -38.73 -57.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' LEU . 1.3 t -36.93 -50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -72.72 -58.73 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 97' ' ' LEU . 98.2 t -48.81 -73.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.817 ' HD3' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -36.98 -50.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 10.1 mt-30 -59.47 -46.17 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.0 mt -52.86 -55.52 22.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.76 -52.15 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -51.36 -56.28 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.59 HD11 ' NH2' ' A' ' 71' ' ' ARG . 20.3 mt -53.93 -49.99 67.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.6 49.19 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.694 HG23 HD11 ' A' ' 69' ' ' LEU . 40.9 t -111.59 -47.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 94' ' ' VAL . 12.8 pt -101.98 162.39 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 23.5 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -97.24 149.83 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.2 mt -34.21 -37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -68.37 -62.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' ALA . 35.8 m120 -50.07 -65.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.24 -55.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.02 -74.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.03 -64.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.21 -57.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' OH ' ' A' ' 45' ' ' TYR . 13.9 tp -39.52 -55.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.32 -43.94 79.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -58.5 -50.21 74.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.584 ' OH ' HD12 ' A' ' 66' ' ' ILE . 59.3 t80 -53.17 -33.98 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.773 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 18.0 m-85 -84.74 -18.76 34.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -42.26 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -71.9 -50.55 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -70.29 -14.12 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 70.36 21.39 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.8 mt -82.83 164.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.473 ' N ' HG22 ' A' ' 41' ' ' ILE . 51.8 mt-30 -128.44 129.53 46.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.54 137.11 5.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.06 164.95 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.825 ' OH ' HD23 ' A' ' 32' ' ' LEU . 91.9 m-85 -106.01 130.66 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -98.33 103.56 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.5 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 94.4 m-85 -90.08 119.08 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -106.67 117.94 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.5 tm0? -80.78 128.25 33.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.5 172.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.96 17.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.01 159.26 41.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.72 -55.09 33.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 2.3 p-80 -42.48 -39.84 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 37.7 t-20 -145.31 85.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.72 163.61 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' ' NE2' ' A' ' 78' ' ' HIS . 69.2 m -129.75 -172.3 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -142.13 107.82 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.1 mt -80.57 104.45 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.9 110.65 21.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -118.06 141.47 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -145.19 138.6 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 74' ' ' PHE . 6.9 m -125.85 135.24 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.773 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.7 pt -137.29 156.24 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 3.5 t80 -121.09 137.13 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.584 HD12 ' OH ' ' A' ' 35' ' ' TYR . 11.3 mm -113.0 122.21 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -33.19 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.5 pt20 -65.57 -9.75 29.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG12 ' A' ' 102' ' ' VAL . 21.6 mt -112.81 -37.57 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 7.34 57.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 -171.94 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 HG21 ' A' ' 63' ' ' THR . 0.0 OUTLIER -139.56 152.79 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.532 HG13 HD12 ' A' ' 93' ' ' LEU . 37.4 pt -116.18 148.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -125.41 150.16 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.19 155.15 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -168.64 86.96 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -94.45 171.62 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 7.5 t-160 -124.14 45.38 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.06 -177.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -64.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -100.31 152.75 19.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 5.3 mttt -41.14 -51.01 3.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LEU . 9.7 mmpt? -52.23 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.9 mt -39.4 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.24 -64.78 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.88 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.22 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.6 m -51.02 -45.53 61.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.762 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.0 t -52.72 -53.84 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.762 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -51.55 -69.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.535 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 38.4 tp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.13 -50.64 73.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -71.89 -54.17 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 97' ' ' LEU . 61.4 t -47.71 -47.15 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' CZ ' HD21 ' A' ' 91' ' ' LEU . 60.1 mtt180 -54.19 -56.86 14.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -55.85 -50.58 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 94' ' ' VAL . 55.1 mt -44.26 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -45.38 -37.72 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -63.71 -57.13 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.1 mt -53.63 -50.45 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.11 42.26 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.841 HG12 HD11 ' A' ' 69' ' ' LEU . 2.0 m -95.52 -50.96 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.561 HG23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -99.93 -169.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.9 m95 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' OD1' ' A' ' 27' ' ' ASN . 17.6 p -94.87 153.3 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 91' ' ' LEU . 5.7 mt -36.03 -43.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 37.4 mt-10 -67.25 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' A' ' 24' ' ' THR . 29.4 m120 -41.1 -61.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -39.61 -57.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -69.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.68 -65.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.1 tpt180 -38.59 -58.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.912 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.6 tp -41.29 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -58.69 -41.26 85.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 5.6 mm-40 -59.8 -43.92 94.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.603 ' OH ' HD12 ' A' ' 66' ' ' ILE . 72.5 t80 -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.8 m-85 -84.53 -20.91 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.29 -30.1 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.34 -54.24 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.6 mm-40 -74.5 -15.73 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.13 19.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 42' ' ' GLN . 17.9 mt -79.54 164.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 41' ' ' ILE . 45.2 mt-30 -132.39 131.54 41.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.97 127.43 2.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -106.79 159.55 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.912 ' OH ' HD23 ' A' ' 32' ' ' LEU . 78.4 m-85 -106.82 126.63 52.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -96.06 103.94 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.9 126.06 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m -112.71 106.26 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 57.0 tt0 -75.78 136.89 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -154.72 173.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 81.5 176.45 51.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.02 145.13 31.0 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -44.39 -49.11 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -48.06 -33.89 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -146.99 86.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 20.2 mmt180 -96.49 145.98 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.34 112.61 15.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 27.6 m-85 -90.98 101.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 5.2 mt -71.3 112.81 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.746 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -97.07 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.92 138.91 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.58 ' HE1' ' CE1' ' A' ' 45' ' ' TYR . 33.0 ttm -141.78 142.57 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.8 m -129.92 131.63 46.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -132.16 154.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -120.96 135.07 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.603 HD12 ' OH ' ' A' ' 35' ' ' TYR . 13.1 mm -110.66 113.51 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -34.33 72.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 69' ' ' LEU . 2.1 tt0 -54.35 -32.19 56.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.793 HD12 HH11 ' A' ' 71' ' ' ARG . 14.7 mt -102.04 -32.94 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.03 59.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.988 ' NH2' HG23 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -128.19 -174.68 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.58 148.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.988 HG23 ' NH2' ' A' ' 71' ' ' ARG . 42.2 pt -115.19 147.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.65 ' HB2' HG23 ' A' ' 63' ' ' THR . 2.3 t80 -123.29 149.99 44.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -132.97 157.11 45.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -169.81 84.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.64 179.86 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -137.19 96.07 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.81 179.2 34.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -68.95 -56.99 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' OD1' HD23 ' A' ' 84' ' ' LEU . 23.3 p30 -125.8 170.71 11.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -41.14 -56.04 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -43.01 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.3 mm? -39.97 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -34.46 -64.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.17 -54.68 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.489 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.7 mt-30 -50.43 -70.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.3 m -41.22 -45.38 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.731 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -54.31 -60.03 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.7 -65.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.617 ' CD2' ' HD2' ' A' ' 95' ' ' ARG . 3.9 mt -38.78 -57.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' LEU . 2.7 t -37.93 -53.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.5 mm? -69.26 -50.54 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 28' ' ' ALA . 46.5 t -48.03 -75.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.617 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -37.17 -56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 6.2 mt-30 -51.01 -50.12 59.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 102' ' ' VAL . 34.8 mt -50.24 -53.09 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -57.99 -52.95 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -50.2 -54.15 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.579 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.455 HD13 ' NH1' ' A' ' 71' ' ' ARG . 19.7 mt -58.22 -47.94 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.34 57.97 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 97' ' ' LEU . 95.1 t -120.7 -50.78 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 94' ' ' VAL . 7.6 pt -95.63 -172.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 31' ' ' ARG . 51.4 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.0 p -93.24 146.94 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.885 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.2 mt -32.78 -43.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 19.9 mt-10 -65.8 -62.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 24' ' ' THR . 30.2 m120 -45.86 -60.64 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.24 -65.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -72.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.57 -34.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.793 ' NH2' HG22 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -64.64 -64.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.0 tp -40.87 -57.07 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -46.74 -44.02 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -66.79 -42.38 86.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' A' ' 66' ' ' ILE . 62.5 t80 -63.29 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.0 m-30 -84.6 -24.45 29.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -87.15 -32.32 19.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.36 -55.18 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.9 mm-40 -74.64 -15.98 60.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt 77.44 16.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.5 mt -73.62 163.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.6 pm0 -133.5 127.19 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.39 134.16 4.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' SD ' ' A' ' 62' ' ' MET . 8.2 pt-20 -122.65 135.63 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 10.9 m-30 -72.56 121.6 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 106.13 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 97.2 m-85 -89.95 118.06 29.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -109.53 111.2 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -73.69 131.01 41.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -134.18 171.34 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 176.61 13.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.97 159.58 41.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -55.18 -55.54 30.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.7 p-80 -42.04 -39.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 2.6 t30 -144.75 87.18 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 4.0 ptp180 -117.12 170.4 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 50' ' ' VAL . 4.5 p -152.19 138.65 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -92.81 125.09 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.31 104.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . . . -86.37 110.72 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -125.45 136.03 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 44' ' ' GLU . 1.2 tpp -140.28 141.1 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.655 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.3 m -122.72 122.55 39.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 93' ' ' LEU . 2.3 pt -123.61 141.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.44 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.0 t80 -105.47 138.02 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 69' ' ' LEU . 16.8 mm -111.17 119.6 60.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -37.84 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 7.5 pt20 -60.84 -18.36 55.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.0 mt -104.86 -37.84 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.75 6.14 57.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.872 HH21 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -135.26 -171.49 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.02 147.63 38.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.45 151.02 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HB2' HG23 ' A' ' 63' ' ' THR . 6.3 t80 -126.18 150.68 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -135.48 148.24 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -160.42 81.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 9.1 mm-40 -93.25 142.31 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 52.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.58 176.36 0.43 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -63.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.4 p30 -108.43 161.25 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -42.52 -58.91 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.65 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -40.16 -65.81 0.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.88 -53.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.597 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . . . -56.84 -69.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -37.86 -38.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m -71.54 -52.36 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.9 t -45.47 -58.84 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -46.42 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.885 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.7 tp -40.06 -34.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.33 -55.73 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 64' ' ' ILE . 2.2 mm? -67.87 -47.51 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 28' ' ' ALA . 43.7 t -49.71 -65.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -41.56 -56.11 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -54.26 -46.07 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.646 HD22 HG11 ' A' ' 102' ' ' VAL . 35.2 mt -54.99 -55.25 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 7.7 t80 -54.54 -51.12 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.21 -59.9 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.872 HD21 HH21 ' A' ' 71' ' ' ARG . 10.2 mt -51.08 -45.16 61.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.05 50.71 0.38 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.646 HG11 HD22 ' A' ' 97' ' ' LEU . 74.4 t -111.26 -40.88 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.793 HG22 ' NH2' ' A' ' 31' ' ' ARG . 15.1 pt -110.7 164.33 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 23' ' ' TRP . 3.7 pt-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CE3' ' OD1' ' A' ' 27' ' ' ASN . 12.0 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.48 150.8 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.89 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.9 mt -54.5 -48.13 72.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -60.81 -67.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' CE3' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -46.9 -58.67 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.845 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.05 -61.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HE3' ' HB1' ' A' ' 86' ' ' ALA . 2.9 tttt -40.35 -65.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.32 -57.1 7.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLN . 33.0 tpt85 -41.62 -61.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD21 ' SD ' ' A' ' 62' ' ' MET . 39.8 tp -40.33 -51.72 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -57.09 -50.02 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.28 -34.02 55.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 18.9 m-85 -79.26 -24.91 42.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.68 -53.1 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -53.41 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 4.2 mm-40 -68.22 -20.16 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.6 23.46 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.0 mt -82.43 164.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' N ' HG22 ' A' ' 41' ' ' ILE . 6.5 pt20 -125.96 126.39 44.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.21 125.42 1.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.21 -175.21 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 92.5 m-85 -110.56 128.87 55.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 104.57 16.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.641 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 81.8 m-85 -90.59 120.28 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' VAL . 1.8 m -107.59 114.26 28.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.58 117.72 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 HG22 ' A' ' 48' ' ' THR . 15.4 m -120.63 176.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.25 179.24 2.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 155.14 43.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.47 -50.19 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.2 p-80 -46.0 -45.7 15.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 7.0 t-20 -139.39 84.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -119.44 -179.15 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.535 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 1.1 m -157.38 133.73 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.78 103.52 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 78' ' ' HIS . 49.5 mt -72.06 106.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -87.07 109.43 19.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.16 132.96 56.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.704 ' SD ' HD21 ' A' ' 32' ' ' LEU . 28.6 ttm -137.97 141.63 40.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -129.24 141.8 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.9 pt -141.88 153.73 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 16.3 t80 -119.14 137.55 53.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.7 mm -112.11 114.4 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -39.87 65.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.9 pt20 -60.43 -16.39 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.0 mt -106.7 -38.22 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.25 9.89 57.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 -173.7 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.28 147.82 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 93' ' ' LEU . 28.6 pt -110.41 155.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.2 t80 -132.06 155.16 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -142.39 154.74 44.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -171.61 89.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 9.9 mm-40 -94.33 179.43 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.679 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.6 t-160 -131.06 49.34 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.56 -167.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -97.93 -62.18 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.05 164.74 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 10.4 mttt -42.3 -57.17 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -45.05 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -40.25 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.73 -66.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.46 -62.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -41.02 -66.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 4.7 m -41.6 -51.21 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.863 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -51.62 -62.49 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -44.0 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.89 HD22 ' HG ' ' A' ' 25' ' ' LEU . 48.2 tp -42.4 -35.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.55 -52.08 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.863 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -68.69 -39.57 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.845 HG21 ' HB1' ' A' ' 28' ' ' ALA . 60.3 t -53.78 -59.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -58.15 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -46.23 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 102' ' ' VAL . 32.5 mt -53.74 -52.88 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.08 -59.66 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.52 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.36 -60.25 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -49.77 -47.51 50.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.49 49.91 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 97' ' ' LEU . 89.3 t -111.97 -43.79 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 94' ' ' VAL . 22.4 pt -106.86 -173.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 32.3 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 25' ' ' LEU . 15.7 p -85.84 146.07 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.4 mt -31.88 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.1 mm-40 -62.98 -68.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' O ' ' C ' ' A' ' 28' ' ' ALA . 28.0 m120 -44.71 -63.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -33.64 -68.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -46.58 -67.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -36.91 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -47.1 -54.06 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD23 ' OH ' ' A' ' 45' ' ' TYR . 38.5 tp -42.55 -50.33 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -61.48 -39.57 91.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.7 mm100 -64.65 -37.17 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -67.4 -35.0 78.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.7 m-85 -81.97 -19.76 39.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.37 -41.01 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -66.99 -53.81 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.15 -17.39 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.94 19.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 42' ' ' GLN . 66.2 mt -76.48 165.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 41' ' ' ILE . 1.2 pt20 -129.06 127.31 41.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.86 132.82 4.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.42 162.33 19.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.689 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.9 m-85 -104.57 127.48 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -92.14 102.44 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 92.9 m-85 -90.8 119.03 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 m -108.47 113.95 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -77.96 131.37 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -135.67 174.19 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.41 175.31 17.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.95 158.15 42.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.51 -56.87 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.2 p-80 -41.28 -39.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.587 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 6.9 t-20 -145.97 85.65 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.63 163.35 16.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.8 m -129.24 -172.52 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.59 106.93 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.94 103.98 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -91.18 110.48 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -121.16 138.15 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -141.73 148.4 38.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' ILE . 91.6 m -137.35 140.41 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.485 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.52 148.91 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.2 t80 -113.38 131.96 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.509 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -105.08 113.51 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -39.02 63.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.8 pt20 -60.15 -16.18 30.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HG ' HG21 ' A' ' 66' ' ' ILE . 16.9 mt -111.57 -29.45 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.52 6.27 80.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -128.29 173.13 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -136.06 143.72 44.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 63' ' ' THR . 26.6 pt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -134.03 154.92 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -142.21 152.54 43.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -168.15 88.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.18 175.61 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 3.5 t-160 -133.62 71.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.642 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.8 -172.75 33.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -80.13 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 14.2 mttt -50.59 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mttm -39.5 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 85' ' ' ALA . 35.9 mt -39.92 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -36.68 -66.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -39.96 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.614 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -38.15 -36.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.452 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.57 -53.51 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.668 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.24 -56.85 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.859 HD22 ' HG ' ' A' ' 25' ' ' LEU . 46.3 tp -41.51 -34.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.32 -53.29 59.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -66.29 -42.45 88.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.703 HG21 ' HB1' ' A' ' 28' ' ' ALA . 79.7 t -54.26 -52.56 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.43 29.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.74 -53.0 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -47.8 -54.87 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.703 ' HB2' HD11 ' A' ' 103' ' ' ILE . 4.6 t80 -56.95 -37.47 71.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.597 ' CD2' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -61.47 -56.45 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 99' ' ' HIS . 1.2 mm? -57.81 -47.47 82.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.48 42.46 0.54 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 103' ' ' ILE . 61.7 t -95.35 -73.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 98' ' ' TYR . 3.3 pt -55.74 -107.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 103' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 22.5 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 4.5 p -101.96 146.24 28.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.6 mt -34.62 -37.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mt-10 -66.02 -62.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 24' ' ' THR . 32.4 m120 -50.38 -63.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.83 -64.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -40.96 -64.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -36.58 -59.41 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.831 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.7 tp -40.23 -58.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -54.2 -40.57 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -61.78 -47.46 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -56.97 -29.48 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.633 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 19.6 m-85 -86.99 -31.91 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -33.26 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -53.49 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 41' ' ' ILE . 5.4 mm-40 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.49 17.87 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.1 mt -78.54 165.19 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.7 pt20 -130.04 127.86 40.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.91 136.71 5.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.19 162.29 20.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.831 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.6 m-85 -100.95 133.75 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.55 105.11 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' A' ' 82' ' ' LYS . 91.5 m-85 -90.78 123.28 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -113.09 107.62 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.69 134.76 40.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.04 -170.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.62 176.38 0.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.595 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.04 162.21 37.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.55 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.595 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.0 p-80 -42.75 -33.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.472 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.4 t-20 -151.26 86.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 173.58 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -155.28 135.1 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -95.97 113.1 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.1 mt -77.77 104.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -118.44 139.83 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.619 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.8 ttm -145.84 134.46 22.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.7 m -120.97 136.07 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.4 pt -135.97 157.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 4.1 t80 -120.58 139.14 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.62 HG22 ' HG2' ' A' ' 68' ' ' GLN . 6.1 mm -113.13 124.82 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -29.33 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.62 ' HG2' HG22 ' A' ' 66' ' ' ILE . 1.1 pt20 -68.36 -7.98 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.584 ' CD1' HD13 ' A' ' 100' ' ' LEU . 38.8 mt -116.65 -36.75 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.93 54.25 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 2.7 ptm180 -141.3 -171.25 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.48 158.23 44.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 pt -123.49 143.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -120.45 151.76 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -138.45 155.08 48.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.0 tmm_? -171.77 98.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -113.92 176.16 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -127.53 61.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.6 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.46 -168.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m -90.23 -50.61 5.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 0.762 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.63 HD22 HD23 ' A' ' 84' ' ' LEU . 4.6 m-80 -129.68 171.91 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 47' ' ' TYR . 4.7 mttt -46.54 -44.95 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -72.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 84' ' ' LEU . 2.0 mm? -46.57 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.2 -54.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 82' ' ' LYS . . . -55.15 -54.16 46.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.489 ' CB ' HD22 ' A' ' 25' ' ' LEU . 2.3 mt-30 -46.83 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -53.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.74 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -46.78 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.622 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.8 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 tp -40.85 -33.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -59.19 -52.55 65.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.74 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.96 -46.78 73.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.588 HG21 ' HB1' ' A' ' 28' ' ' ALA . 15.9 t -51.69 -56.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -45.09 -62.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -56.06 9.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD2' HG11 ' A' ' 102' ' ' VAL . 53.8 mt -44.75 -65.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -44.28 -33.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -71.79 -61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.584 HD13 ' CD1' ' A' ' 69' ' ' LEU . 12.9 mt -46.4 -52.36 13.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 125.06 47.43 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -102.41 -59.33 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.648 ' N ' HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -90.42 -170.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.489 ' HE3' ' OD1' ' A' ' 27' ' ' ASN . 9.3 m95 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -128.17 146.32 50.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 91' ' ' LEU . 9.1 mt -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.3 mm-40 -59.69 -60.18 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' ' HE3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.13 -64.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -34.08 -51.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.74 -56.21 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -63.0 -59.47 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -39.55 -49.37 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 30.7 tp -51.89 -58.76 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -52.51 -33.87 47.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.65 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.91 -29.65 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.97 -27.88 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.94 -36.76 41.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -71.83 -60.52 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -66.26 -15.41 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.44 23.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 42' ' ' GLN . 23.4 mt -81.19 164.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 41' ' ' ILE . 13.7 mt-30 -128.47 130.08 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.55 134.45 3.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.5 OUTLIER -121.54 -171.34 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 29' ' ' LYS . 47.6 m-85 -113.72 138.5 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 105.41 15.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.84 120.37 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.5 m -112.83 111.16 21.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 2.0 tt0 -79.1 126.26 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -131.1 172.4 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.55 177.77 14.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.1 Cg_endo -75.02 160.87 39.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.79 -52.23 66.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -44.99 -36.62 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.557 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -147.33 86.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.89 165.04 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -144.8 130.36 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 43.8 m-85 -89.84 105.04 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.57 105.65 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.433 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.42 109.55 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.91 136.93 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 32' ' ' LEU . 21.9 ttm -141.46 137.1 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' ILE . 87.1 m -126.79 142.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.91 154.69 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.429 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 10.0 t80 -118.63 136.41 53.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.6 mm -110.6 117.91 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -38.71 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.9 pt20 -61.92 -17.95 58.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 102' ' ' VAL . 11.0 mt -104.92 -31.85 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.04 7.2 70.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -134.78 -173.02 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.15 151.27 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . 33.2 pt -113.34 155.96 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -133.75 154.53 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.61 151.73 40.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 9.1 ttm180 -166.32 92.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.06 169.32 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.66 60.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.3 168.15 30.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -69.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -102.06 162.21 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -40.47 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -72.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.1 mt -39.01 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.05 -67.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -42.78 -65.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.491 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -35.78 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -38.03 -39.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.797 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -61.87 -58.67 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.63 -71.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 25' ' ' LEU . 62.7 tp -40.48 -36.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -57.65 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -65.66 -38.78 90.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 28' ' ' ALA . 57.6 t -58.32 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -39.17 -53.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -49.92 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 102' ' ' VAL . 24.2 mt -48.76 -50.43 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.95 -55.93 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.48 -58.36 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.512 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 68.0 mt -55.19 -48.65 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.99 52.46 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.659 ' CG2' HD11 ' A' ' 69' ' ' LEU . 91.8 t -113.1 -39.43 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.8 pt -113.09 175.97 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.74 -58.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.94 164.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.91 172.49 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.54 162.96 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.95 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -151.58 161.7 42.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 69.86 1.26 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -119.22 124.08 45.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -109.84 87.76 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -89.85 23.81 2.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.71 53.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.31 95.34 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t -129.9 149.18 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -121.55 178.73 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -75.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -91.35 -37.11 13.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -26.0 8.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.94 -22.5 77.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -94.85 -43.35 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 0.725 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -53.02 -62.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.596 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.7 108.71 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -85.64 71.53 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 14.8 m95 -115.74 95.99 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 107.99 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' LEU . 16.1 p -94.34 144.67 25.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.0 mt -33.78 -39.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.5 mt-10 -67.98 -57.39 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' OD1' HG23 ' A' ' 24' ' ' THR . 31.3 m120 -52.08 -63.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -38.28 -54.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -47.29 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.47 -61.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ALA . 27.0 tpt180 -38.04 -54.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 90' ' ' ALA . 18.3 tp -47.77 -57.1 6.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -57.84 -35.99 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.56 -44.26 94.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.84 -33.51 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 21.0 m-85 -80.55 -20.83 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -83.97 -45.28 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -55.24 24.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.56 -19.54 62.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 77.34 16.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 42' ' ' GLN . 42.9 mt -72.78 166.59 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.516 ' N ' HG22 ' A' ' 41' ' ' ILE . 9.8 pt20 -126.88 126.63 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.45 132.58 3.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.8 OUTLIER -121.29 -173.53 2.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.671 ' OH ' HD23 ' A' ' 32' ' ' LEU . 31.3 m-85 -116.58 144.99 43.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.42 103.74 13.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -90.84 118.68 30.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 m -112.17 111.09 21.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.476 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -75.53 126.43 31.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.91 172.83 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.72 177.95 12.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 162.79 36.46 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -58.27 -54.79 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.4 p-80 -43.08 -36.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 4.9 t30 -147.79 86.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.61 166.42 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 138.87 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -97.41 99.25 10.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.33 102.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.519 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -88.44 109.22 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -116.45 139.93 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.678 ' SD ' HD21 ' A' ' 32' ' ' LEU . 33.7 ttm -141.83 143.23 33.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 74' ' ' PHE . 8.5 m -133.86 136.27 44.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.2 pt -136.92 150.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.2 t80 -117.96 136.38 53.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.512 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 19.0 mm -110.11 118.33 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -37.83 54.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 9.5 pt20 -61.11 -14.91 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.679 HD11 HG23 ' A' ' 102' ' ' VAL . 17.8 mt -110.21 -34.84 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.23 7.99 63.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -134.77 -178.74 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.18 153.12 47.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' A' ' 97' ' ' LEU . 22.5 pt -120.1 136.96 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -116.78 155.04 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -141.42 156.23 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.562 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.8 ttp180 -167.12 95.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -106.46 -174.67 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.48 60.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.88 -172.91 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -68.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -104.25 163.42 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -44.9 -39.74 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -64.34 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 85' ' ' ALA . 3.9 mm? -47.5 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.04 -54.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.99 -65.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.442 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.1 m -45.26 -50.03 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.653 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -51.68 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.75 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.728 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.2 tp -40.3 -33.73 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.08 -53.46 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.4 mm? -67.28 -39.22 86.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.5 t -56.27 -60.35 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -46.66 -47.26 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' O ' HD23 ' A' ' 100' ' ' LEU . 3.7 mt-30 -61.35 -50.78 71.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 73' ' ' ILE . 30.8 mt -49.77 -52.4 32.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.25 -26.22 67.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.588 ' CD2' HD22 ' A' ' 100' ' ' LEU . 1.3 t60 -74.54 -55.67 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.58 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.655 ' HB3' HD13 ' A' ' 69' ' ' LEU . 0.9 OUTLIER -58.08 -46.87 84.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.66 57.58 0.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.679 HG23 HD11 ' A' ' 69' ' ' LEU . 95.5 t -117.04 -51.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.3 pt -95.06 -176.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -142.85 147.78 35.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.42 148.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.573 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -89.17 162.39 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -122.37 32.85 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 9.5 t -44.19 95.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' SER . . . 84.0 169.57 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.48 6.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.0 m 58.34 170.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.954 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -132.51 94.72 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t 63.4 129.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -129.02 -59.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.092 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.19 -108.38 1.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 64.15 101.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -159.97 79.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.68 -116.26 0.71 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.58 84.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.26 62.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.8 m -61.62 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.18 117.64 6.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -140.08 95.38 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -135.69 154.0 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 5.8 t0 58.28 109.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -109.53 -74.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.7 p30 -82.09 -39.25 23.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 112' ' ' SER . . . -40.44 -47.73 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 14' ' ' ASP . . . -65.71 -51.06 50.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.3 mt -49.78 -57.94 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -42.06 -68.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.29 116.64 1.86 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 106' ' ' TYR . 0.4 OUTLIER -88.92 73.93 8.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -127.03 81.48 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.049 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 19.0 p -89.74 149.82 22.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.7 mt -32.59 -41.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -67.9 -60.87 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 28' ' ' ALA . 34.5 m120 -49.39 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.78 -57.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -45.36 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.76 -58.98 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' GLN . 24.9 tpt180 -36.68 -64.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.1 tp -40.44 -58.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -49.19 -45.03 43.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.4 mm-40 -59.12 -53.74 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.403 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 59.0 t80 -50.69 -33.13 21.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.651 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 14.1 m-30 -82.06 -20.33 38.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -86.42 -40.23 15.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.92 -59.23 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 5.4 mm-40 -68.33 -11.71 59.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.93 25.07 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -81.77 164.49 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.8 pt20 -128.94 126.79 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.75 128.82 2.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -113.88 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -110.59 144.12 39.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.28 103.89 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -90.2 122.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 m -112.57 113.67 25.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -80.45 117.91 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 57' ' ' SER . 15.3 m -117.88 179.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.48 -179.34 0.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.03 155.77 42.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.31 -52.42 63.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.3 p-80 -44.66 -39.57 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 46.4 t30 -145.06 84.74 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -119.51 -175.91 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -161.31 122.48 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -79.81 110.77 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 59' ' ' ILE . 11.2 mt -80.05 101.58 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.73 108.28 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -116.98 143.61 45.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.674 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.3 ttm -144.99 143.62 30.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 74' ' ' PHE . 24.3 m -132.45 139.03 47.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.454 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.651 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.57 157.66 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -119.57 138.07 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.5 mm -111.99 118.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -38.64 52.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 12.5 pt20 -61.81 -17.9 57.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.576 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.4 mt -104.65 -35.52 7.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.62 9.35 61.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.77 -171.59 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.72 150.64 40.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 pt -113.65 155.9 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -133.32 151.42 51.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -137.18 156.89 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.21 97.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -117.32 176.9 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -126.63 99.98 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.81 156.21 18.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -57.3 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 84' ' ' LEU . 6.1 p30 -117.93 161.85 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -42.27 -63.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -41.2 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.564 HD12 ' ND2' ' A' ' 81' ' ' ASN . 28.3 mt -39.7 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.06 -64.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -40.7 -63.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.418 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -38.63 -46.49 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.445 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.2 -54.12 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.686 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -45.91 -59.74 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.559 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.61 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.682 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.6 tp -40.33 -35.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -58.14 -51.07 71.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -70.07 -44.79 68.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' HD11 ' A' ' 103' ' ' ILE . 57.7 t -51.66 -49.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -55.73 -51.61 66.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.88 -41.31 86.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 102' ' ' VAL . 32.4 mt -58.45 -55.07 39.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 2.6 t80 -57.39 -46.45 83.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -59.76 -66.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.599 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.7 mt -45.86 -49.15 15.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.19 62.54 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 97' ' ' LEU . 76.8 t -121.32 -46.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.484 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.0 pt -103.17 171.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.89 142.11 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -45.34 121.5 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.463 ' HB3' ' CB ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -61.66 -149.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.47 38.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.1 t -70.1 -40.94 74.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.35 125.06 27.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 98.2 p -94.21 172.16 8.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 31.7 p -89.67 82.37 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p 48.91 96.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.77 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 p -122.54 116.51 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.61 137.56 2.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -135.08 151.32 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -154.76 137.88 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.04 69.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.1 mt -118.97 62.32 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLU . 16.3 pt-20 39.99 47.02 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 p -55.75 87.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' GLU . 4.1 mt-10 -72.1 99.93 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -89.53 42.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.78 152.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -93.21 109.41 20.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 -70.04 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 19' ' ' LEU . 20.5 m120 -84.33 -45.47 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.84 -26.27 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.73 -50.69 57.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 16' ' ' ASN . 4.5 mt -48.05 -63.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -49.93 -63.93 0.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.59 114.2 3.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 4.8 m120 -81.95 68.98 8.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.61 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 26.1 m95 -117.29 101.76 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 107.978 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.5 p -98.97 144.91 27.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.821 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.4 mt -32.47 -42.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mm-40 -61.3 -66.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 32.6 m120 -47.28 -61.7 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.43 -67.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -39.96 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.93 -64.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 1.2 tmt_? -38.14 -58.19 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.915 HD23 ' OH ' ' A' ' 45' ' ' TYR . 22.8 tp -39.71 -56.62 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.64 -42.23 78.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 2.0 mm-40 -58.73 -48.04 82.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -56.39 -33.53 65.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 20.4 m-85 -83.71 -20.05 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.73 -41.14 16.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -71.46 -53.56 13.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CB ' HD12 ' A' ' 41' ' ' ILE . 2.8 mm-40 -71.51 -14.46 62.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 70.32 20.49 6.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.468 HD12 ' CB ' ' A' ' 39' ' ' GLU . 26.8 mt -78.91 164.04 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.1 mt-30 -125.4 128.61 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.45 127.61 1.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -115.53 -176.41 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.915 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.3 m-85 -113.79 134.84 54.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -99.72 105.41 17.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 78.6 m-85 -90.35 120.17 31.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 m -112.1 107.75 16.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.8 tt0 -74.96 130.96 40.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.92 -171.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 56.64 176.13 0.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.605 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.05 162.04 37.65 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -58.45 -56.03 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.605 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.66 -33.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.459 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 1.1 t30 -151.35 86.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.68 173.07 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 p -154.8 135.97 13.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 54.5 m-85 -93.91 108.59 20.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' ' 59' ' ' ILE . 10.1 mt -73.64 100.97 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -85.01 107.84 17.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -117.15 138.34 51.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.618 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.4 ttm -141.44 143.62 33.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.3 m -133.58 137.62 45.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.52 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.4 pt -138.1 149.3 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.414 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 9.1 t80 -113.51 136.25 53.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.0 mm -110.09 118.04 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -38.25 53.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.7 pt20 -61.87 -16.98 54.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.614 HD11 ' CG2' ' A' ' 102' ' ' VAL . 12.1 mt -106.31 -34.82 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.62 62.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 1.8 ptm180 -136.44 -175.41 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -140.78 149.47 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 pt -114.67 149.25 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -128.42 152.89 47.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -138.45 154.19 48.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -166.46 92.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -104.26 176.78 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 74.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -76.77 178.8 50.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.433 ' HB3' HD12 ' A' ' 84' ' ' LEU . 29.0 t -78.99 -53.21 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -119.12 157.84 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.525 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 13.6 mttp -40.81 -55.63 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' LEU . 3.4 mmtt -46.96 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 80' ' ' SER . 28.0 mt -39.6 -70.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -37.31 -63.78 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' CYS . . . -42.85 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -38.79 -42.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 7.8 m -65.92 -49.12 69.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -52.14 -56.9 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.64 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -45.54 -71.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.821 HD22 ' HG ' ' A' ' 25' ' ' LEU . 33.8 tp -39.61 -35.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -58.4 -55.02 40.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.5 mm? -65.62 -41.26 92.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB1' ' A' ' 28' ' ' ALA . 42.4 t -52.91 -60.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -54.57 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.93 -49.51 71.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.582 HD22 HG11 ' A' ' 102' ' ' VAL . 30.9 mt -49.5 -53.53 22.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 4.5 t80 -62.0 -45.62 92.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.545 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.33 -62.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 15.5 mt -53.11 -47.37 68.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.96 58.73 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG2' HD11 ' A' ' 69' ' ' LEU . 77.8 t -115.5 -47.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.2 pt -102.17 178.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -130.87 143.67 50.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.55 139.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.1 t80 -67.08 169.12 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.38 31.09 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.951 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.512 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -58.45 131.58 51.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.63 126.92 0.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 120.48 6.08 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.1 m -76.14 94.12 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.21 -58.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.77 140.1 7.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.94 148.77 39.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.052 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 -169.78 38.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.21 132.85 14.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.98 128.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.952 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.67 56.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 mt -117.27 86.27 2.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -126.52 53.41 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.3 m -61.81 85.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.048 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.42 91.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.52 91.31 2.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.1 t -135.35 155.49 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -110.37 134.66 52.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -92.14 -75.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.1 -31.46 27.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 22' ' ' ASN . . . -55.18 -21.61 14.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -18.71 76.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.836 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -95.38 -47.75 6.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -50.49 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 129.35 93.32 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.814 HD21 ' HB1' ' A' ' 17' ' ' ALA . 6.4 m-80 -75.86 66.14 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 13.0 m95 -113.03 97.01 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.048 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' ' 27' ' ' ASN . 16.1 p -96.85 151.19 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.9 mt -34.81 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -64.66 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' HG23 ' A' ' 24' ' ' THR . 24.1 m120 -48.34 -60.95 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -35.3 -64.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -50.73 -55.0 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.46 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 22.2 tpt180 -38.73 -56.83 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.981 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.7 tp -42.38 -50.29 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -62.06 -39.18 91.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -62.52 -41.23 98.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.26 -34.29 77.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.44 -21.37 35.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.67 -39.99 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -69.5 -53.65 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.0 mt-10 -72.01 -12.63 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt 72.76 12.04 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 42' ' ' GLN . 26.9 mt -69.18 166.92 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.8 pt20 -128.63 125.52 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 133.16 4.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.35 164.28 17.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.981 ' OH ' HD23 ' A' ' 32' ' ' LEU . 75.8 m-85 -107.66 137.62 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.74 110.15 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -91.44 125.05 36.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 m -117.66 105.71 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -70.85 131.18 43.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -136.09 173.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.93 177.72 12.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.01 156.91 42.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.73 -56.38 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.5 p-80 -40.94 -44.34 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.7 t30 -138.53 87.07 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 171.34 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.1 p -154.27 129.05 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.37 104.37 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 HD11 ' HD2' ' A' ' 78' ' ' HIS . 22.7 mt -69.14 105.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.67 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.71 110.63 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -116.77 139.2 50.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.7 ttm -146.87 141.57 26.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.444 ' HG1' ' HD2' ' A' ' 74' ' ' PHE . 82.0 m -128.76 142.16 51.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -140.81 151.6 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 11.6 t80 -116.89 137.47 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.553 HG21 ' HG ' ' A' ' 69' ' ' LEU . 21.2 mm -112.15 117.13 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -38.58 58.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 21.4 pt20 -61.91 -15.38 42.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -106.82 -38.07 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.83 9.07 57.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.5 -172.05 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -142.64 150.44 40.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.481 HG13 HD12 ' A' ' 93' ' ' LEU . 35.4 pt -114.33 148.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -127.57 151.26 49.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.044 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -137.62 157.47 46.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -170.09 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -99.2 -178.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.464 ' HD2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -135.7 60.87 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.63 -163.19 0.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.9 t -96.65 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -106.74 162.73 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -41.06 -46.63 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -72.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -41.51 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -33.22 -57.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.62 -63.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -38.55 -65.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.45 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 74.5 m -45.16 -57.3 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.0 OUTLIER -43.52 -55.63 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 108.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -50.18 -67.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.9 tp -39.54 -33.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.35 -54.18 44.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -68.4 -42.33 79.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.806 ' O ' HD11 ' A' ' 103' ' ' ILE . 47.8 t -54.79 -49.83 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 2.1 mtp180 -54.7 -53.18 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.92 -46.74 81.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 102' ' ' VAL . 33.8 mt -54.53 -54.43 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 4.0 t80 -54.28 -60.7 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -44.93 -59.66 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.63 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 14.9 mt -50.2 -47.0 54.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.76 47.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 97' ' ' LEU . 79.1 t -109.01 -38.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.3 pt -112.76 -177.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -139.92 144.73 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -39.53 139.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.1 t80 -69.05 163.3 25.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.82 29.93 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 1.5 t -53.16 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.7 164.79 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.44 5.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.573 1.828 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.4 t -171.49 112.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -88.55 -60.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.031 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.13 123.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -154.82 143.1 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 140.46 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.5 82.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.96 118.43 11.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.5 -112.85 0.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.0 mt 49.82 -175.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLU . 15.6 pt-20 39.08 45.5 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -57.92 85.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' GLU . 19.4 mt-10 -150.85 56.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.64 93.08 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.84 145.24 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 10.4 m-20 -126.44 171.87 10.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.2 -68.7 0.9 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -84.43 -40.93 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . . . -46.48 -51.92 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.71 -20.75 8.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.451 1.095 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.25 -51.14 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -47.99 -63.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.543 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.2 110.3 3.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -79.22 69.89 5.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.48 0.753 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 18.7 m95 -120.95 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -95.79 148.81 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.4 mt -33.79 -38.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 8.2 mt-10 -66.97 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 28' ' ' ALA . 27.6 m120 -51.4 -62.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.04 -48.71 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' NZ ' ' CE1' ' A' ' 45' ' ' TYR . 16.8 tptt -58.57 -73.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.64 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 22.7 tpt180 -37.56 -51.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 28.3 tp -48.29 -58.46 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -52.98 -38.0 61.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.36 -48.01 81.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -57.21 -33.93 68.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.8 m-85 -83.43 -21.32 32.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -83.99 -38.03 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -57.12 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -68.7 -16.54 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 73.24 25.08 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 42' ' ' GLN . 27.4 mt -82.21 165.7 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.499 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -127.44 127.31 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.44 127.7 1.87 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.5 pt-20 -115.82 -176.38 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.482 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 93.3 m-85 -109.4 156.8 19.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 101.93 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.628 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 93.3 m-85 -90.56 122.58 33.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 m -117.81 107.61 14.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.65 130.13 41.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -135.07 173.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.53 178.24 9.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.98 158.21 42.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.64 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -41.59 -41.42 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 32.2 t-20 -141.32 87.12 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.67 171.38 8.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.491 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -155.51 128.18 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -82.64 106.3 14.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.516 HG12 ' CG ' ' A' ' 78' ' ' HIS . 39.4 mt -70.97 100.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.63 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.98 108.72 18.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.272 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 44' ' ' GLU . 32.9 ttm -143.46 151.06 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 18.0 m -139.62 137.19 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.3 pt -137.99 154.09 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -118.45 137.81 52.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.574 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.9 mm -112.27 118.42 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -38.61 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.13 -17.87 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -105.3 -37.31 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.82 9.47 58.51 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -138.55 -178.3 5.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 150.04 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 93' ' ' LEU . 26.6 pt -114.77 149.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 1.1 t80 -127.58 153.99 45.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.489 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -138.24 157.95 45.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -171.15 90.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -105.57 150.36 25.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 59' ' ' ILE . 9.2 m170 -99.37 48.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.11 176.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.8 t -82.73 -68.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -107.49 174.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -51.99 -60.44 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -43.53 -72.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.0 mt -40.16 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.13 -67.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.628 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.92 -64.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 25' ' ' LEU . 1.5 mt-30 -39.14 -64.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.1 m -46.12 -51.17 14.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.771 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.1 t -48.3 -57.61 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.326 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -49.8 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.705 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.6 tp -39.33 -42.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -51.89 -53.53 39.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -66.54 -49.4 66.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 23.9 t -45.74 -59.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.5 mtt-85 -46.54 -56.9 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -52.78 -49.17 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.726 HD22 HG11 ' A' ' 102' ' ' VAL . 31.9 mt -50.15 -53.27 28.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.11 -59.4 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.581 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.95 -64.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.581 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.1 mt -46.37 -50.29 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.71 57.48 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.726 HG11 HD22 ' A' ' 97' ' ' LEU . 78.7 t -117.66 -47.15 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.2 pt -104.52 -175.23 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -139.57 144.11 37.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.42 137.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 1.4 t80 -72.89 158.91 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.91 31.34 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.572 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 21.2 t -40.39 -69.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.03 -158.23 10.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.99 33.31 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.87 23.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.2 t -156.27 112.46 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m 62.71 124.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -178.76 150.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.38 123.7 1.87 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -161.96 152.26 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.73 170.38 1.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.48 -66.35 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 69.58 101.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 10.9 pt-20 -156.64 55.14 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.8 m -60.61 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.8 mm-40 -139.8 60.06 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -96.88 41.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 m -91.76 -172.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 26.0 t0 177.34 -36.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.66 -163.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ALA . 17.4 p30 -58.49 -15.87 12.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ASN . . . -37.44 -62.75 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.47 -58.2 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.421 1.075 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mp -47.34 -56.11 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -52.33 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.635 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.7 110.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.25 63.03 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.428 ' HA ' ' CE3' ' A' ' 23' ' ' TRP . 13.3 m95 -114.96 87.86 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' LEU . 14.7 p -93.0 150.46 20.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 87' ' ' GLN . 10.6 mt -35.93 -49.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -51.85 68.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ALA . 31.0 m120 -58.44 -69.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.874 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -36.59 -40.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.5 -59.08 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -39.11 -54.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.771 HD23 ' OH ' ' A' ' 45' ' ' TYR . 27.1 tp -47.29 -58.67 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -50.64 -38.53 46.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -49.7 71.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' OH ' HD12 ' A' ' 66' ' ' ILE . 56.3 t80 -55.1 -30.49 59.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 13.1 m-30 -81.24 -25.68 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -83.76 -37.89 22.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -58.21 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.54 -12.09 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.21 28.25 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 42' ' ' GLN . 61.9 mt -83.38 165.23 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.477 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.3 mt-30 -129.89 132.05 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.18 131.54 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.19 -176.67 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.771 ' OH ' HD23 ' A' ' 32' ' ' LEU . 66.8 m-85 -116.03 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 108.19 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 96.4 m-85 -89.79 121.54 32.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -109.58 108.43 18.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.1 tm0? -76.97 133.45 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 30.5 m -138.17 -169.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.54 176.58 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.599 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.94 162.58 37.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -58.95 -55.82 30.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.599 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.9 p-80 -42.82 -33.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.558 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 8.4 t-20 -150.7 87.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.81 173.68 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -156.49 128.08 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 67.8 m-85 -90.24 115.56 27.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.87 104.21 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HB3' ' C ' ' A' ' 85' ' ' ALA . . . -88.86 109.9 20.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' C ' ' CD ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -115.26 154.53 28.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 32' ' ' LEU . 27.0 ttm -156.12 140.95 17.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 74' ' ' PHE . 19.2 m -132.24 137.64 47.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.04 152.04 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -115.7 136.73 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 ' HG ' ' A' ' 69' ' ' LEU . 17.9 mm -110.39 117.09 54.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -38.94 57.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.3 pt20 -61.55 -18.09 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -104.27 -37.95 7.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.93 11.03 57.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CZ ' HD21 ' A' ' 100' ' ' LEU . 2.2 ptm180 -138.54 -171.47 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 148.23 33.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.7 pt -112.9 152.61 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -130.75 152.59 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -136.56 161.36 36.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.1 98.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 17.5 mm-40 -113.07 167.82 10.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -122.92 61.98 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.609 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.29 176.34 10.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -75.21 -62.76 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' LYS . 16.8 p30 -109.31 158.29 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 21.6 mttp -39.55 -56.43 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -43.46 -73.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 84' ' ' LEU . 24.7 mt -41.35 -68.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.13 -39.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -66.31 -58.69 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.798 ' C ' HD22 ' A' ' 25' ' ' LEU . 5.8 mt-30 -47.33 -50.3 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.87 -44.74 70.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -64.2 -63.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.581 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.68 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.3 tp -45.51 -36.92 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 1.2 t -56.64 -49.79 73.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -69.71 -47.88 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.874 HG21 ' HB1' ' A' ' 28' ' ' ALA . 41.9 t -48.69 -52.27 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -54.6 -51.57 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.86 -44.77 86.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.774 HD22 HG11 ' A' ' 102' ' ' VAL . 31.7 mt -55.11 -58.13 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -53.18 -57.52 10.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -49.47 -65.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.581 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.3 mt -44.54 -48.91 10.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.52 53.12 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.774 HG11 HD22 ' A' ' 97' ' ' LEU . 64.0 t -113.59 -44.65 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.5 pt -108.31 168.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -117.95 144.5 45.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.74 133.33 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.406 ' CD2' ' CZ3' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -80.32 128.61 33.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.045 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.1 t -102.59 -19.6 14.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.85 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 70.22 158.63 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 121.23 6.46 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 m -76.95 -58.8 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -173.4 111.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 116.66 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.68 118.25 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.37 176.62 28.03 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -134.25 151.25 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -114.12 160.53 18.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.14 101.54 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 177.33 8.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 11' ' ' GLU . 12.4 pt-20 39.65 45.83 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 p -54.95 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 mm-40 -137.72 67.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.45 94.38 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 p -142.52 146.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.84 113.61 26.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -85.65 -75.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -92.28 -36.23 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.71 -24.99 53.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.9 -43.56 82.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.45 -55.68 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -53.88 -62.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.621 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.64 101.66 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 3.3 m-20 -81.09 68.95 7.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' HG2' ' A' ' 31' ' ' ARG . 39.5 m95 -112.01 107.68 16.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' LEU . 6.1 p -102.38 151.95 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.883 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.5 mt -37.4 -48.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.04 -63.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.6 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 31.6 m120 -49.94 -61.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -35.89 -65.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.92 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -41.86 -63.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HG2' ' CH2' ' A' ' 23' ' ' TRP . 11.1 tpt180 -35.78 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.844 HD23 ' OH ' ' A' ' 45' ' ' TYR . 19.3 tp -45.41 -59.82 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -54.0 -30.29 46.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.44 -30.71 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' OH ' HD12 ' A' ' 66' ' ' ILE . 64.0 t80 -77.22 -29.68 54.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.9 m-30 -81.99 -25.5 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -85.93 -39.21 17.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -66.85 -58.91 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -69.82 -22.14 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 39' ' ' GLU . 2.1 mtmt 86.67 15.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.6 mt -74.84 167.47 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.536 ' N ' HG22 ' A' ' 41' ' ' ILE . 3.3 pt20 -137.38 124.84 22.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -143.44 125.08 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -106.47 159.09 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.844 ' OH ' HD23 ' A' ' 32' ' ' LEU . 83.7 m-85 -104.68 126.14 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -95.21 104.27 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 99.2 m-85 -90.41 122.45 33.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.5 m -113.52 109.78 19.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 1.7 tm0? -76.23 130.06 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -135.42 173.87 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.71 178.54 9.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.95 157.73 42.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 11.2 t70 -53.16 -58.38 7.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.6 p-80 -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 3.3 t30 -137.48 87.11 2.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 53' ' ' ASP . 3.0 ptp180 -117.59 170.79 8.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -152.93 127.36 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 61.6 m-85 -89.02 99.98 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.91 104.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.544 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.26 111.05 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.63 146.82 42.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.53 ' SD ' HD21 ' A' ' 32' ' ' LEU . 24.7 ttm -150.95 147.34 27.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.478 HG23 ' HB2' ' A' ' 74' ' ' PHE . 26.6 m -138.59 140.75 39.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 pt -140.32 159.47 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 10.6 t80 -120.77 134.8 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.565 HD12 ' OH ' ' A' ' 35' ' ' TYR . 18.3 mm -113.04 113.65 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -31.03 70.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.681 ' HG2' HD23 ' A' ' 69' ' ' LEU . 1.6 tt0 -57.89 -38.79 76.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HG2' ' A' ' 68' ' ' GLN . 0.7 OUTLIER -93.09 -21.61 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.25 8.42 87.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -171.64 2.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -139.42 148.72 43.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 93' ' ' LEU . 12.5 pt -115.01 136.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -113.78 155.51 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.528 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -140.66 159.99 40.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -176.06 101.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -176.7 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 66.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.645 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.6 169.09 38.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.7 m -75.59 -62.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -104.2 161.03 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -44.06 -58.64 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LEU . 4.8 mptt -44.25 -73.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 85' ' ' ALA . 25.9 mt -37.9 -67.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.9 -60.06 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -50.89 -55.29 17.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.883 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -47.25 -56.34 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.529 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -48.74 -55.33 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.685 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.6 t -52.5 -57.84 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 108.279 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -44.5 -66.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.9 tp -41.2 -37.96 1.02 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -56.91 -55.51 33.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -65.51 -44.37 87.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 28' ' ' ALA . 48.3 t -53.2 -68.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 33.8 mtt-85 -38.7 -57.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -57.21 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 mt -40.91 -56.96 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -54.06 -51.96 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.423 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -48.16 -53.04 18.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.608 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 69' ' ' LEU . 5.6 mt -60.41 -46.83 88.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.85 45.38 0.46 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 69' ' ' LEU . 18.1 t -104.45 -44.65 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.746 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.437 HD11 ' O ' ' A' ' 94' ' ' VAL . 14.4 pt -101.39 176.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -121.26 149.49 42.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.1 133.09 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.6 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 4.2 t80 -58.63 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 m -120.73 -97.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.81 130.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.21 163.34 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.27 81.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.7 p -141.97 -56.44 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -173.85 166.47 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -145.25 81.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.22 -155.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -159.2 177.95 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 p -144.76 170.43 16.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.77 51.88 3.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mt -122.56 61.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -80.85 55.49 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 p -64.97 84.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 59.89 4.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.64 93.79 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.9 t -132.91 150.83 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.634 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 7.3 p30 -117.07 155.47 29.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 -75.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -79.32 -38.58 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . . . -58.09 -22.6 51.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.3 -44.98 32.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -56.29 -47.12 79.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -61.3 -68.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.17 103.23 2.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.5 46.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 24.6 m95 -85.29 106.39 16.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.478 HG23 ' OD1' ' A' ' 27' ' ' ASN . 8.7 p -99.03 151.23 21.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.964 HD22 ' HB3' ' A' ' 87' ' ' GLN . 9.1 mt -37.47 -50.52 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -57.8 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.613 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 30.6 m120 -51.2 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.058 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.67 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -40.99 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -34.66 -66.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 2.1 mmm180 -43.9 -52.28 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' SD ' ' A' ' 62' ' ' MET . 18.6 tp -40.34 -52.92 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -56.17 -44.41 79.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 6.3 mm-40 -60.98 -46.05 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.578 ' OH ' HD12 ' A' ' 66' ' ' ILE . 84.8 t80 -57.7 -35.77 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.048 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 14.3 m-30 -79.9 -18.62 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -86.38 -49.11 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -61.77 -58.08 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 3.0 mm-40 -69.84 -14.5 62.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 26.52 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 42' ' ' GLN . 30.0 mt -81.04 164.51 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.8 mt-30 -131.28 130.75 43.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.82 128.54 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.36 -175.53 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -112.01 132.77 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 104.99 16.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -90.16 122.42 33.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 m -113.02 118.75 35.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' CG ' ' HD2' ' A' ' 56' ' ' ARG . 3.9 tt0 -80.63 117.83 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 57' ' ' SER . 15.8 m -117.88 -179.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.56 -179.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.569 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 155.73 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -53.18 59.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.6 p-80 -43.92 -40.15 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 5.3 t-20 -144.29 84.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 5.2 ptt-85 -119.34 -175.69 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -162.3 120.54 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -74.89 109.93 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 HG11 ' A' ' 50' ' ' VAL . 14.2 mt -78.43 104.48 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.08 110.38 21.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -116.53 142.66 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.474 ' SD ' HD21 ' A' ' 32' ' ' LEU . 32.5 ttm -141.26 149.44 41.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 74' ' ' PHE . 17.4 m -139.59 137.41 35.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.617 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.45 155.17 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -117.6 138.34 52.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 69' ' ' LEU . 19.7 mm -112.75 119.6 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.92 -37.76 47.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.5 pt20 -62.8 -17.8 61.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.6 mt -103.72 -38.08 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.58 10.55 56.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.568 1.168 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 -172.01 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 149.4 41.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.2 pt -112.74 154.22 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -132.73 151.98 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -137.26 158.2 44.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 6.3 ttm180 -170.8 99.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.34 179.23 4.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.9 65.98 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.03 -177.22 7.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.27 -62.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.051 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -105.08 161.57 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -44.91 -56.74 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 1.8 tptt -46.39 -68.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 84' ' ' LEU . 19.3 mt -42.94 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -37.19 -42.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -65.51 -56.87 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.964 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.7 mt-30 -44.53 -59.74 2.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.24 -53.81 12.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.728 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.27 -63.03 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -41.25 -70.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.588 ' HB2' HD23 ' A' ' 25' ' ' LEU . 53.2 tp -40.1 -38.46 0.74 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -55.24 -51.89 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.47 -44.86 81.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.058 HG21 ' HB1' ' A' ' 28' ' ' ALA . 16.0 t -52.31 -63.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -56.57 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.65 -53.37 52.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -45.86 -58.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 12.4 t80 -49.79 -61.82 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -42.22 -58.42 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.563 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.522 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 11.6 mt -51.0 -50.58 58.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.14 42.48 0.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.13 -39.87 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 94' ' ' VAL . 18.6 pt -112.02 164.72 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' ALA . 15.3 pt-20 -116.04 141.88 47.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -40.34 148.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.613 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.4 t80 -70.77 -164.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -114.21 -99.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 t 62.48 119.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -51.21 153.23 4.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 107.61 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.16 91.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.82 -59.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -117.76 157.22 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 156.53 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.57 -133.47 5.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.135 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.93 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -87.25 157.33 19.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 87.73 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -144.03 137.27 27.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.0 106.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.6 m -79.33 87.01 5.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' GLU . 9.7 mt-10 -155.14 93.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER 57.69 114.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p -146.8 151.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.24 162.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 16' ' ' ASN . 1.3 tm? -123.53 -68.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.456 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -83.93 -41.49 17.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.84 -51.45 29.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.14 -16.12 32.36 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -85.53 -52.64 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -53.72 -50.9 64.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.95 93.55 0.91 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' ND2' ' HA2' ' A' ' 109' ' ' GLY . 1.1 m-80 -87.27 71.45 10.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.793 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -101.36 105.55 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 108.053 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 25' ' ' LEU . 12.8 p -94.84 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.92 ' HG ' HD22 ' A' ' 91' ' ' LEU . 5.3 mt -35.02 -48.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -63.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.602 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 13.9 m120 -49.95 -61.53 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.94 -65.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -38.87 -73.38 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.79 -63.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 17.6 tpt180 -38.46 -58.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.785 HD23 ' OH ' ' A' ' 45' ' ' TYR . 28.7 tp -41.6 -54.95 3.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -58.02 -39.51 78.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -61.91 -43.61 98.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.4 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 44.6 t80 -61.9 -32.4 72.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.5 m-30 -83.6 -20.91 32.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -86.71 -35.54 19.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -74.44 -58.45 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.74 -13.46 62.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.89 28.12 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 42' ' ' GLN . 67.2 mt -83.16 165.21 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 41' ' ' ILE . 82.7 mt-30 -129.43 132.1 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.42 134.41 4.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -120.04 161.14 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.785 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.0 m-85 -102.85 127.5 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.97 105.33 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 45' ' ' TYR . 15.0 m-85 -90.58 120.77 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.7 m -109.39 117.33 33.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -80.4 126.74 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.93 172.71 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.84 175.81 11.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.01 161.08 39.34 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 7.6 t70 -56.71 -56.38 22.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.0 p-80 -41.76 -37.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 29.4 t-20 -147.45 86.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -117.07 166.44 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 79' ' ' GLY . 31.8 t -140.2 157.5 45.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -111.89 112.75 24.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 78' ' ' HIS . 35.0 mt -83.66 100.89 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.586 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -86.81 109.82 19.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -115.57 142.13 47.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ttm -147.27 138.88 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' ' 74' ' ' PHE . 15.2 m -129.5 136.77 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.2 pt -135.93 146.72 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 6.8 t80 -110.78 139.06 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.575 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -112.36 120.86 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -36.87 33.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.4 pt20 -62.86 -19.05 63.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' HG ' HG21 ' A' ' 66' ' ' ILE . 11.8 mt -102.94 -37.84 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 8.84 57.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.8 -171.57 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.89 151.43 42.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 26.1 pt -116.26 144.76 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.589 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -124.19 152.99 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.476 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.8 157.98 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 ttp180 -171.12 97.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.03 162.56 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 59' ' ' ILE . 12.1 m170 -106.75 43.8 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.573 ' HA3' ' HB2' ' A' ' 85' ' ' ALA . . . -47.55 163.26 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -117.57 165.02 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -48.85 -51.13 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -53.12 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 32.6 mt -40.81 -73.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -38.01 -61.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.54 -57.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.9 -40.74 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.623 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.4 -52.39 40.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.733 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.5 t -50.67 -56.72 10.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.12 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.92 HD22 ' HG ' ' A' ' 25' ' ' LEU . 29.6 tp -42.91 -33.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.9 OUTLIER -61.92 -55.23 31.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.06 -40.76 91.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.659 HG13 HD13 ' A' ' 103' ' ' ILE . 79.0 t -54.74 -68.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' VAL . 45.5 mtm180 -38.54 -56.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -50.87 66.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.625 HD22 HG11 ' A' ' 102' ' ' VAL . 34.3 mt -48.62 -49.42 37.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.521 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -64.3 -55.95 17.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.521 ' N ' ' CD2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -40.64 -50.99 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.621 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' NE2' ' A' ' 99' ' ' HIS . 17.3 mt -67.22 -39.84 86.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . . . 112.48 44.83 0.82 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.625 HG11 HD22 ' A' ' 97' ' ' LEU . 88.0 t -98.8 -63.85 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.659 HD13 HG13 ' A' ' 94' ' ' VAL . 1.3 pt -69.64 -172.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' CG ' ' H ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -107.6 -127.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.51 ' H ' ' CG ' ' A' ' 104' ' ' GLU . . . -154.87 136.74 14.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.602 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t80 -59.37 -144.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.65 27.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 m -86.98 -44.65 11.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.418 ' HA2' ' ND2' ' A' ' 22' ' ' ASN . . . 42.29 -165.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 98.47 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.5 t -106.82 153.17 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.2 t 63.11 129.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -120.25 152.06 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.935 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -78.0 -57.84 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.68 -74.1 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -49.41 144.75 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.41 139.5 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.972 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.02 -149.81 22.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.27 159.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -163.83 112.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 m -74.87 90.69 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -147.73 77.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.45 -145.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.25 158.8 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.11 -53.09 4.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER 75.65 -158.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -67.56 -10.93 56.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.58 -51.56 6.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.46 -55.34 17.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -42.69 -57.13 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -43.29 -69.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.51 112.29 2.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -89.22 68.74 8.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.754 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -108.55 95.84 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.5 p -91.11 149.78 21.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 87' ' ' GLN . 0.6 OUTLIER -33.92 -42.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.077 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.31 -66.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.53 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 26.1 m120 -46.55 -59.27 3.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.23 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -41.41 -67.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -38.58 -69.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' GLN . 27.4 tpt180 -36.59 -54.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.62 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.1 tp -43.85 -58.5 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -55.4 -31.84 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -72.98 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.73 -32.43 57.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 22.0 m-30 -81.57 -23.03 37.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.84 -38.47 13.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -58.53 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.37 -13.86 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.64 25.96 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 42' ' ' GLN . 40.8 mt -82.75 165.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.484 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -128.56 129.52 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.97 131.86 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' O ' ' CE ' ' A' ' 62' ' ' MET . 2.3 pt-20 -120.13 -174.08 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.62 ' OH ' HD23 ' A' ' 32' ' ' LEU . 22.1 m-85 -118.09 141.85 48.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -107.68 109.11 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -90.87 122.42 33.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.2 m -112.52 115.44 28.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 6.6 tm0? -78.38 122.36 25.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 16.1 m -126.14 174.89 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.26 177.79 4.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.03 162.56 36.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.545 1.813 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.69 -54.29 48.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.55 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -43.5 -36.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.55 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 53.5 t30 -147.82 86.76 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.9 165.57 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -144.32 128.58 17.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 12.6 m-85 -85.29 101.01 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -69.79 108.56 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.627 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -92.13 111.59 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -119.36 139.54 51.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 16.1 ttm -141.51 146.94 37.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.477 HG23 ' HB2' ' A' ' 74' ' ' PHE . 12.9 m -136.68 135.82 38.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.524 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -134.84 152.99 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -116.67 138.56 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.604 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -111.62 120.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.72 -38.19 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 17.1 pt20 -61.95 -20.34 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.2 mt -102.26 -36.4 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.08 58.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.57 -171.87 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.56 151.42 40.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.24 150.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -126.3 156.8 39.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -143.71 155.34 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -171.82 99.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -112.74 179.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -130.18 73.9 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.51 170.5 53.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -72.78 -55.51 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.8 p30 -115.42 170.99 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -49.93 -57.21 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.475 ' CD ' ' HG3' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -44.77 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' ALA . 29.9 mt -39.47 -65.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.627 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -36.02 -55.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -60.1 -56.13 25.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.596 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -36.57 -65.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -57.61 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.701 ' O ' HD22 ' A' ' 93' ' ' LEU . 4.4 t -41.57 -59.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -46.62 -68.15 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 28.6 tp -41.03 -32.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -62.29 -54.47 40.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.1 mm? -65.17 -40.8 94.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.7 HG21 ' HB1' ' A' ' 28' ' ' ALA . 14.7 t -57.41 -65.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' VAL . 0.1 OUTLIER -38.98 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.345 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -55.01 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.734 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -43.25 -52.72 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -58.41 -59.46 5.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.549 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.07 -61.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.0 mt -49.33 -49.06 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.9 56.45 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.734 HG11 HD22 ' A' ' 97' ' ' LEU . 91.7 t -116.67 -44.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.2 pt -106.84 174.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' ALA . 8.7 pt-20 -126.34 145.76 50.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -38.79 154.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.53 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 7.2 t80 -93.25 179.74 5.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.1 t -136.55 119.59 16.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.04 -68.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.28 -161.1 22.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.17 28.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.89 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.7 t 57.35 94.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -178.39 118.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -147.18 156.08 42.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.955 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.45 166.44 32.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -122.85 144.66 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -166.08 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.41 123.01 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.89 113.61 0.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.97 -7.77 10.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t 65.17 7.94 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -145.36 55.65 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -129.02 89.5 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -124.88 143.16 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -91.19 173.42 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -74.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -90.19 -46.08 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.26 -20.69 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.94 -44.67 8.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.89 -52.87 61.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -45.78 -66.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.605 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.61 107.29 0.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 19.6 m-20 -88.1 52.0 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -87.06 142.72 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.7 p -126.39 154.42 43.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 87' ' ' GLN . 7.6 mt -60.72 -38.49 85.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.75 -69.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.605 ' CG ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -52.4 -49.94 63.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 27' ' ' ASN . . . -38.26 -51.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -59.35 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -46.9 -68.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' ALA . 14.9 tpt180 -35.56 -55.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.0 tp -44.75 -51.46 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ALA . 48.8 m-80 -62.55 -35.17 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -67.08 -31.92 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.453 ' OH ' HD12 ' A' ' 66' ' ' ILE . 38.4 t80 -74.14 -29.71 61.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.587 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.4 -24.54 34.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -87.57 -36.06 17.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -70.1 -58.44 3.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.35 -10.96 60.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.05 24.36 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.7 mt -83.21 165.58 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.5 mm100 -130.16 131.88 45.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.31 132.79 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.94 168.66 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.808 ' OH ' HD23 ' A' ' 32' ' ' LEU . 84.5 m-85 -102.91 132.16 49.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 107.43 18.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -90.93 125.46 35.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -113.86 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 1.7 tt0 -85.04 119.61 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 57' ' ' SER . 13.5 m -119.24 -178.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.63 -179.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -74.99 156.32 43.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.59 -48.14 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.3 p-80 -47.57 -45.71 27.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.612 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -139.14 84.62 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -119.16 -177.41 3.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -160.19 121.32 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 59.1 m-85 -80.73 111.61 17.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 77' ' ' GLU . 5.8 mt -81.25 102.58 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -86.47 109.91 19.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -117.43 138.33 51.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 ttm -141.77 142.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 m -129.78 144.29 51.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.455 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.7 pt -144.26 153.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 15.8 t80 -117.94 136.77 53.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.545 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.4 mm -112.47 114.44 47.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -39.17 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 16.1 pt20 -61.84 -14.5 34.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 66' ' ' ILE . 9.7 mt -107.27 -38.15 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.04 8.49 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -139.14 -172.67 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.259 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.54 148.26 39.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.402 HD11 HD11 ' A' ' 64' ' ' ILE . 24.9 pt -108.39 159.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -139.12 152.4 47.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -140.79 153.79 45.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 3.3 tmm_? -169.45 98.72 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 9.9 mm-40 -114.61 163.75 14.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.88 61.94 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.561 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.19 157.33 36.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.427 ' HB2' HD12 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.06 -58.18 7.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -111.73 155.25 23.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -41.35 -47.21 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -51.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' ALA . 18.6 mt -48.25 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.3 -60.25 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -49.39 -56.04 10.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.712 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.8 mm100 -44.34 -68.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -40.48 -54.83 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.852 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -49.65 -64.46 0.8 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.36 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.576 ' HB2' HD23 ' A' ' 25' ' ' LEU . 56.4 tp -43.47 -37.88 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.7 OUTLIER -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -75.01 -45.33 42.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.914 ' O ' HD11 ' A' ' 103' ' ' ILE . 60.7 t -51.4 -54.01 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.414 ' CD ' ' HG ' ' A' ' 91' ' ' LEU . 4.5 mtp85 -54.41 -59.83 4.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' O ' HD12 ' A' ' 100' ' ' LEU . 4.4 mt-30 -48.22 -39.37 20.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 102' ' ' VAL . 33.6 mt -62.63 -53.12 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.409 ' CA ' HG13 ' A' ' 103' ' ' ILE . 5.5 t80 -56.71 -60.1 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.73 -61.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.584 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 9.6 mt -49.19 -50.88 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.72 50.48 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 97' ' ' LEU . 90.8 t -113.38 -34.77 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 94' ' ' VAL . 17.8 pt -122.13 166.82 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 105' ' ' ALA . 3.8 pm0 -117.51 140.66 49.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -32.36 144.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.519 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 3.2 t80 -51.45 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 38.52 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.79 158.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.9 -174.89 30.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 65.18 6.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.764 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.2 p -89.75 -62.6 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 54.3 p -125.71 -60.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.84 93.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 110.053 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.96 131.31 55.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 176.79 21.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -162.18 167.67 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -174.79 145.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.3 107.36 2.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -129.59 123.56 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -154.48 99.95 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.1 t -94.88 26.15 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -149.89 87.77 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.49 92.36 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.52 147.44 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.16 86.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 51.69 -170.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.39 -22.94 63.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.96 -54.04 22.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -44.61 -58.5 4.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.8 mt -43.19 -62.32 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -51.03 -63.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.597 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 131.06 107.31 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 9.1 m-20 -76.6 67.1 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -112.89 100.48 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.498 ' O ' ' C ' ' A' ' 25' ' ' LEU . 8.0 p -97.35 144.63 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.5 mt -32.0 -41.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -63.13 -67.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.637 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 32.5 m120 -44.98 -59.3 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.58 -56.67 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -49.05 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -42.77 -63.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.8 tpt180 -36.58 -59.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.775 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.3 tp -44.79 -52.55 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.34 -32.47 71.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -73.95 -31.31 62.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 20.2 m-85 -82.36 -24.46 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -87.53 -37.4 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -68.51 -55.28 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.19 -17.2 60.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp 78.82 21.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 60.6 mt -78.29 165.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 7.8 pt20 -130.92 127.2 37.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.31 128.6 1.91 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' HE3' ' A' ' 62' ' ' MET . 2.5 pt-20 -112.86 -174.84 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.775 ' OH ' HD23 ' A' ' 32' ' ' LEU . 41.6 m-85 -117.22 139.13 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 115.06 29.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 50.5 m-85 -90.39 119.82 30.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 m -108.64 112.77 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -79.84 125.35 29.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -127.49 174.34 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.25 176.56 3.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.98 163.4 35.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -58.3 -55.16 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.3 p-80 -42.88 -35.82 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 33.7 t-20 -148.77 86.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.96 166.62 11.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -142.81 132.37 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -91.07 107.19 19.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.8 mt -79.37 114.57 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -91.74 111.33 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -119.82 143.7 47.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.474 ' HE3' ' O ' ' A' ' 44' ' ' GLU . 23.5 ttm -148.5 149.81 32.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 73' ' ' ILE . 99.6 m -137.45 145.01 42.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 pt -143.23 158.52 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 7.3 t80 -118.86 134.02 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 21.4 mm -106.49 116.95 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -38.21 53.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.524 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.0 pt20 -60.35 -14.25 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 66' ' ' ILE . 10.7 mt -109.54 -37.16 5.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.26 3.64 57.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.82 -172.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.55 156.8 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.928 HD12 ' HG3' ' A' ' 96' ' ' GLN . 2.0 pt -116.33 174.64 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -150.34 161.83 41.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 74' ' ' PHE . . . -152.07 159.75 43.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 4.6 tmm_? -175.75 105.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -124.72 174.7 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -119.16 110.86 17.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 141.36 16.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -52.32 -48.4 65.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' ND2' ' N ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -122.19 142.81 50.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 2.1 mtmp? -40.26 -46.55 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -57.56 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -62.52 -55.42 27.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -40.35 -66.72 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.58 -51.05 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.82 -64.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -43.3 -57.31 3.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.739 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -47.58 -60.97 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 108.346 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.29 -63.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.72 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 52.3 tp -45.9 -43.37 13.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.3 t -50.23 -53.45 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.739 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.7 mm? -66.78 -44.33 81.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.951 ' O ' HD11 ' A' ' 103' ' ' ILE . 59.6 t -51.23 -46.15 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -59.95 -72.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.928 ' HG3' HD12 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -43.33 -37.02 2.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD22 HG11 ' A' ' 102' ' ' VAL . 18.5 mt -59.52 -58.12 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.6 -57.17 13.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -40.21 -63.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 8.2 mt -51.33 -47.38 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.44 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.431 HG11 HD22 ' A' ' 97' ' ' LEU . 45.8 t -109.28 -45.56 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.951 HD11 ' O ' ' A' ' 94' ' ' VAL . 12.7 pt -103.36 177.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.79 145.39 51.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.15 139.14 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.637 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 3.0 t80 -63.04 -177.8 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.26 30.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.569 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 5.8 t -38.94 -63.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.93 166.78 30.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 59.41 5.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.64 109.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.63 90.69 2.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -167.63 97.62 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p 56.58 167.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -129.39 1.93 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 62.91 124.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 p -120.96 145.93 47.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 103.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.05 58.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' GLU . 11.5 pt-20 40.03 52.72 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.4 p -55.91 87.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 9' ' ' GLU . 5.6 mt-10 -134.8 133.32 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.58 93.87 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -130.93 150.73 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.67 93.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.5 mm? 52.2 -171.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -69.53 -22.75 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.27 20.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' LEU . . . -47.29 -58.21 6.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.13 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' GLY . 40.1 mt -40.54 -59.39 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -42.8 -51.92 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.604 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.08 99.14 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.5 m120 -81.24 65.51 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.442 ' CZ3' ' HB2' ' A' ' 31' ' ' ARG . 21.8 m95 -109.99 104.5 13.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 27' ' ' ASN . 11.4 p -105.34 156.05 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.833 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.0 mt -37.85 -50.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.611 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 21.3 m120 -49.52 -62.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -37.21 -61.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.54 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -45.3 -62.3 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 23' ' ' TRP . 18.2 tpt180 -35.64 -64.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.294 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 10.6 tp -39.42 -60.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -44.5 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -59.28 -53.93 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -50.76 -31.25 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.4 m-30 -83.26 -21.77 33.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -84.18 -35.76 23.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.92 -57.95 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -69.36 -15.12 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.6 24.34 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.0 mt -81.68 164.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' N ' HG22 ' A' ' 41' ' ' ILE . 11.0 pt20 -130.53 128.81 41.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.37 123.83 1.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -108.45 162.71 13.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.2 m-85 -101.45 130.65 47.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.68 103.86 15.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 13.5 m-30 -90.36 118.09 29.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -107.88 105.39 15.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 57.1 tt0 -75.86 137.49 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' SER . 16.0 m -154.78 170.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.46 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 80.15 174.19 46.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.2 Cg_endo -75.03 147.15 33.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -43.54 -52.44 6.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.3 OUTLIER -44.64 -37.47 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' PRO . 10.9 m-20 -143.46 86.46 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HD2' ' CG ' ' A' ' 49' ' ' GLN . 21.3 mmt180 -95.37 145.24 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.68 110.45 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.016 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 49' ' ' GLN . 55.3 m-85 -90.65 102.08 14.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.5 mt -73.44 108.08 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.26 111.01 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.5 146.9 42.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 ttm -155.33 129.71 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.56 HG23 ' HB2' ' A' ' 74' ' ' PHE . 21.2 m -120.13 137.58 54.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.775 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.1 pt -136.13 149.9 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 7.5 t80 -115.26 138.86 50.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.9 mm -112.66 119.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -37.61 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.52 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.5 pt20 -62.7 -16.78 58.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.694 HD11 HG23 ' A' ' 102' ' ' VAL . 11.0 mt -106.69 -31.99 8.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.85 8.63 69.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.59 ' NH2' HD11 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -136.35 -171.73 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 152.85 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 93' ' ' LEU . 37.4 pt -119.43 131.25 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -110.04 153.45 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -140.37 156.69 46.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -174.46 97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 88' ' ' SER . 41.4 mm-40 -110.52 -174.82 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -138.93 70.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.39 163.56 54.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -60.22 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -103.71 153.34 20.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 47' ' ' TYR . 50.5 mttt -40.13 -49.46 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -50.71 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ALA . 26.2 mt -38.27 -68.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.89 -56.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.709 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -52.71 -54.15 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.833 ' HB3' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -47.48 -59.47 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.541 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.91 -38.79 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.775 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.6 t -67.05 -60.43 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.509 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -39.61 -69.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.817 HD22 ' HD3' ' A' ' 95' ' ' ARG . 0.9 OUTLIER -38.73 -57.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' LEU . 1.3 t -36.93 -50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -72.72 -58.73 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 97' ' ' LEU . 98.2 t -48.81 -73.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.817 ' HD3' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -36.98 -50.09 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 10.1 mt-30 -59.47 -46.17 89.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 94' ' ' VAL . 28.0 mt -52.86 -55.52 22.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -51.76 -52.15 50.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -51.36 -56.28 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.59 HD11 ' NH2' ' A' ' 71' ' ' ARG . 20.3 mt -53.93 -49.99 67.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.6 49.19 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.694 HG23 HD11 ' A' ' 69' ' ' LEU . 40.9 t -111.59 -47.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.519 ' CD1' HG13 ' A' ' 94' ' ' VAL . 12.8 pt -101.98 162.39 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 105' ' ' ALA . 4.0 pt-20 -96.48 -151.27 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 104' ' ' GLU . . . -111.33 132.31 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.611 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 2.8 t80 -54.17 -177.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.05 29.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.548 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -39.5 152.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.99 162.77 30.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.34 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.67 114.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m -144.77 -59.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -121.75 100.86 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.61 129.19 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.12 117.79 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -158.87 156.28 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.03 164.28 35.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 94.99 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.82 158.57 21.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -132.36 85.4 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t -104.59 17.81 23.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.9 123.09 14.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -150.93 102.02 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.1 p -144.17 144.53 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -169.45 131.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -124.52 -76.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 2.5 p30 -85.12 -35.48 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.9 -51.55 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.66 -53.8 42.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.84 -54.64 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -47.33 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.1 114.06 0.12 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' HB3' ' A' ' 106' ' ' TYR . 0.2 OUTLIER -87.46 64.05 7.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 23.5 m95 -115.74 88.02 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' LEU . 7.2 p -97.24 149.83 21.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.2 mt -34.21 -37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -68.37 -62.49 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 28' ' ' ALA . 35.8 m120 -50.07 -65.22 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -36.24 -55.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -51.02 -74.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -42.03 -64.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -38.21 -57.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD23 ' OH ' ' A' ' 45' ' ' TYR . 13.9 tp -39.52 -55.67 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.32 -43.94 79.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -58.5 -50.21 74.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.584 ' OH ' HD12 ' A' ' 66' ' ' ILE . 59.3 t80 -53.17 -33.98 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.773 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 18.0 m-85 -84.74 -18.76 34.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.32 -42.26 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -71.9 -50.55 28.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -70.29 -14.12 62.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 70.36 21.39 5.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 42' ' ' GLN . 37.8 mt -82.83 164.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.473 ' N ' HG22 ' A' ' 41' ' ' ILE . 51.8 mt-30 -128.44 129.53 46.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.54 137.11 5.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.06 164.95 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.825 ' OH ' HD23 ' A' ' 32' ' ' LEU . 91.9 m-85 -106.01 130.66 53.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -98.33 103.56 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.5 ' CD2' ' HD3' ' A' ' 82' ' ' LYS . 94.4 m-85 -90.08 119.08 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -106.67 117.94 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.5 tm0? -80.78 128.25 33.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.5 172.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.46 174.96 17.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.117 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -75.01 159.26 41.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.72 -55.09 33.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 2.3 p-80 -42.48 -39.84 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 37.7 t-20 -145.31 85.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.72 163.61 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HB2' ' NE2' ' A' ' 78' ' ' HIS . 69.2 m -129.75 -172.3 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -142.13 107.82 5.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.1 mt -80.57 104.45 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.9 110.65 21.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -118.06 141.47 48.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 31.6 ttm -145.19 138.6 26.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 74' ' ' PHE . 6.9 m -125.85 135.24 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.773 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.7 pt -137.29 156.24 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 3.5 t80 -121.09 137.13 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.584 HD12 ' OH ' ' A' ' 35' ' ' TYR . 11.3 mm -113.0 122.21 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -33.19 47.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' CG ' HG22 ' A' ' 66' ' ' ILE . 1.5 pt20 -65.57 -9.75 29.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.841 HD11 HG12 ' A' ' 102' ' ' VAL . 21.6 mt -112.81 -37.57 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.63 7.34 57.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 -171.94 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 HG21 ' A' ' 63' ' ' THR . 0.0 OUTLIER -139.56 152.79 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.532 HG13 HD12 ' A' ' 93' ' ' LEU . 37.4 pt -116.18 148.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' HB2' HG23 ' A' ' 63' ' ' THR . 1.1 t80 -125.41 150.16 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.19 155.15 50.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 ttm180 -168.64 86.96 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -94.45 171.62 8.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 7.5 t-160 -124.14 45.38 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.06 -177.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -64.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -100.31 152.75 19.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 5.3 mttt -41.14 -51.01 3.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 84' ' ' LEU . 9.7 mmpt? -52.23 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' ALA . 28.9 mt -39.4 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -38.24 -64.78 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.88 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -39.22 -59.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 3.6 m -51.02 -45.53 61.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.762 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.0 t -52.72 -53.84 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.762 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -51.55 -69.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.535 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 38.4 tp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.13 -50.64 73.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.762 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -71.89 -54.17 10.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 97' ' ' LEU . 61.4 t -47.71 -47.15 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' CZ ' HD21 ' A' ' 91' ' ' LEU . 60.1 mtt180 -54.19 -56.86 14.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -55.85 -50.58 70.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 94' ' ' VAL . 55.1 mt -44.26 -65.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -45.38 -37.72 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.504 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -63.71 -57.13 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.1 mt -53.63 -50.45 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.11 42.26 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.841 HG12 HD11 ' A' ' 69' ' ' LEU . 2.0 m -95.52 -50.96 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.433 0.725 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.561 HG23 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -99.93 -169.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' ALA . 1.2 pt-20 -139.73 137.57 35.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -39.4 119.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -58.45 -159.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.96 32.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -49.02 161.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.43 129.52 9.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 112' ' ' SER . 18.2 Cg_endo -75.01 55.66 4.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.2 t 68.62 -67.54 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 110' ' ' PRO . 3.4 m -164.88 100.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -173.97 108.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -176.4 165.83 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.23 167.53 25.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.61 125.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 110.043 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -175.85 158.48 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.59 150.67 19.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.692 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -157.87 26.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -72.69 73.51 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.2 p -94.36 86.05 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.34 67.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.48 87.36 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -77.02 -174.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -137.87 175.42 9.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -69.78 -9.03 53.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 21' ' ' GLY . . . -48.91 -44.55 40.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.96 -27.6 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' ALA . 6.3 mp -85.44 -52.54 5.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' A' ' 17' ' ' ALA . 28.8 p80 -96.21 -62.71 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . 104.44 117.4 4.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -89.36 72.24 8.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -119.14 94.47 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.5 HG23 ' OD1' ' A' ' 27' ' ' ASN . 17.6 p -94.87 153.3 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 91' ' ' LEU . 5.7 mt -36.03 -43.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 37.4 mt-10 -67.25 -66.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' A' ' 24' ' ' THR . 29.4 m120 -41.1 -61.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.724 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -39.61 -57.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -69.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -43.68 -65.14 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLN . 19.1 tpt180 -38.59 -58.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.912 HD23 ' OH ' ' A' ' 45' ' ' TYR . 15.6 tp -41.29 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -58.69 -41.26 85.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ARG . 5.6 mm-40 -59.8 -43.92 94.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.603 ' OH ' HD12 ' A' ' 66' ' ' ILE . 72.5 t80 -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 21.8 m-85 -84.53 -20.91 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.29 -30.1 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.34 -54.24 6.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.6 mm-40 -74.5 -15.73 60.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.13 19.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 42' ' ' GLN . 17.9 mt -79.54 164.18 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.471 ' N ' HG22 ' A' ' 41' ' ' ILE . 45.2 mt-30 -132.39 131.54 41.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.97 127.43 2.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -106.79 159.55 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.912 ' OH ' HD23 ' A' ' 32' ' ' LEU . 78.4 m-85 -106.82 126.63 52.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -96.06 103.94 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.9 126.06 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.1 m -112.71 106.26 14.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 57.0 tt0 -75.78 136.89 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 57' ' ' SER . 16.5 m -154.72 173.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . . . 81.5 176.45 51.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.02 145.13 31.0 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -44.39 -49.11 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.434 ' CE1' ' HG2' ' A' ' 52' ' ' PRO . 0.4 OUTLIER -48.06 -33.89 8.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -146.99 86.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' CZ ' ' O ' ' A' ' 51' ' ' GLY . 20.2 mmt180 -96.49 145.98 25.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -127.34 112.61 15.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 27.6 m-85 -90.98 101.85 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 5.2 mt -71.3 112.81 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.746 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -97.07 111.02 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -115.92 138.91 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.58 ' HE1' ' CE1' ' A' ' 45' ' ' TYR . 33.0 ttm -141.78 142.57 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.8 m -129.92 131.63 46.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 93' ' ' LEU . 4.5 pt -132.16 154.43 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -120.96 135.07 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.603 HD12 ' OH ' ' A' ' 35' ' ' TYR . 13.1 mm -110.66 113.51 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -34.33 72.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 69' ' ' LEU . 2.1 tt0 -54.35 -32.19 56.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.793 HD12 HH11 ' A' ' 71' ' ' ARG . 14.7 mt -102.04 -32.94 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.94 12.03 59.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.988 ' NH2' HG23 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -128.19 -174.68 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.58 148.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.988 HG23 ' NH2' ' A' ' 71' ' ' ARG . 42.2 pt -115.19 147.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.65 ' HB2' HG23 ' A' ' 63' ' ' THR . 2.3 t80 -123.29 149.99 44.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -132.97 157.11 45.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.575 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -169.81 84.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.64 179.86 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -137.19 96.07 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.81 179.2 34.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.4 m -68.95 -56.99 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' OD1' HD23 ' A' ' 84' ' ' LEU . 23.3 p30 -125.8 170.71 11.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -41.14 -56.04 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -43.01 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.3 mm? -39.97 -73.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -34.46 -64.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.17 -54.68 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.489 ' HB3' HD22 ' A' ' 25' ' ' LEU . 1.7 mt-30 -50.43 -70.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 18.3 m -41.22 -45.38 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.731 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.7 t -54.31 -60.03 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -41.7 -65.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.617 ' CD2' ' HD2' ' A' ' 95' ' ' ARG . 3.9 mt -38.78 -57.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 91' ' ' LEU . 2.7 t -37.93 -53.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.5 mm? -69.26 -50.54 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.724 HG21 ' HB1' ' A' ' 28' ' ' ALA . 46.5 t -48.03 -75.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.617 ' HD2' ' CD2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -37.17 -56.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' NE2' ' HB ' ' A' ' 73' ' ' ILE . 6.2 mt-30 -51.01 -50.12 59.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 102' ' ' VAL . 34.8 mt -50.24 -53.09 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -57.99 -52.95 63.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -50.2 -54.15 22.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.579 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.455 HD13 ' NH1' ' A' ' 71' ' ' ARG . 19.7 mt -58.22 -47.94 81.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.34 57.97 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 97' ' ' LEU . 95.1 t -120.7 -50.78 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 94' ' ' VAL . 7.6 pt -95.63 -172.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.77 145.67 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.7 148.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -91.59 161.18 15.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.8 32.46 5.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.558 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -50.3 -53.26 29.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 144.84 138.21 3.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.33 18.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.83 -59.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.37 110.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p 179.69 102.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -177.95 159.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 109.948 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.69 -74.83 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p 47.23 95.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -156.17 112.4 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.07 100.85 2.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.03 174.22 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' GLU . 12.3 pt-20 41.45 49.17 3.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 m -61.06 83.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -138.25 117.11 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.93 50.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.7 t -135.81 158.86 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.53 174.18 6.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.53 -73.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.546 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 3.8 m-20 -89.52 -45.34 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . . . -59.25 -15.99 18.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.65 -26.92 40.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -95.31 -44.52 7.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.624 ' CE1' ' HA ' ' A' ' 17' ' ' ALA . 5.2 p80 -95.65 -71.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.632 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.518 ' HA2' ' HB1' ' A' ' 17' ' ' ALA . . . 116.47 132.29 4.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -81.82 57.94 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 31' ' ' ARG . 51.4 m95 -100.74 99.88 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.965 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.491 ' O ' ' C ' ' A' ' 25' ' ' LEU . 17.0 p -93.24 146.94 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.885 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.2 mt -32.78 -43.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 19.9 mt-10 -65.8 -62.56 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.586 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 30.2 m120 -45.86 -60.64 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -37.24 -65.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -72.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -40.57 -34.23 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.793 ' NH2' HG22 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -64.64 -64.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 15.0 tp -40.87 -57.07 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -46.74 -44.02 18.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -66.79 -42.38 86.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' A' ' 66' ' ' ILE . 62.5 t80 -63.29 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.0 m-30 -84.6 -24.45 29.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -87.15 -32.32 19.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -75.36 -55.18 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HB2' HD12 ' A' ' 41' ' ' ILE . 2.9 mm-40 -74.64 -15.98 60.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt 77.44 16.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 42' ' ' GLN . 21.5 mt -73.62 163.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.6 pm0 -133.5 127.19 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.39 134.16 4.92 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' N ' ' SD ' ' A' ' 62' ' ' MET . 8.2 pt-20 -122.65 135.63 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 10.9 m-30 -72.56 121.6 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 106.13 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 97.2 m-85 -89.95 118.06 29.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.7 m -109.53 111.2 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 1.9 tt0 -73.69 131.01 41.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 57' ' ' SER . 16.2 m -134.18 171.34 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.05 176.61 13.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.97 159.58 41.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -55.18 -55.54 30.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.7 p-80 -42.04 -39.13 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.583 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.569 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 2.6 t30 -144.75 87.18 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 4.0 ptp180 -117.12 170.4 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 50' ' ' VAL . 4.5 p -152.19 138.65 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -92.81 125.09 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.5 mt -95.31 104.13 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . . . -86.37 110.72 19.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -125.45 136.03 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 44' ' ' GLU . 1.2 tpp -140.28 141.1 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.655 HG23 ' HB2' ' A' ' 74' ' ' PHE . 1.3 m -122.72 122.55 39.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.642 HD11 ' HB3' ' A' ' 93' ' ' LEU . 2.3 pt -123.61 141.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.44 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 8.0 t80 -105.47 138.02 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.549 HG21 ' HG ' ' A' ' 69' ' ' LEU . 16.8 mm -111.17 119.6 60.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -37.84 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 7.5 pt20 -60.84 -18.36 55.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG21 ' A' ' 66' ' ' ILE . 8.0 mt -104.86 -37.84 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.75 6.14 57.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.872 HH21 HD21 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -135.26 -171.49 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -141.02 147.63 38.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.45 151.02 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' HB2' HG23 ' A' ' 63' ' ' THR . 6.3 t80 -126.18 150.68 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -135.48 148.24 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.568 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -160.42 81.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 88' ' ' SER . 9.1 mm-40 -93.25 142.31 27.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 52.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.58 176.36 0.43 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.94 -63.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 84' ' ' LEU . 21.4 p30 -108.43 161.25 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -42.52 -58.91 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.65 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.7 mt -40.16 -65.81 0.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.88 -53.05 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.597 ' HA ' ' CD2' ' A' ' 45' ' ' TYR . . . -56.84 -69.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -37.86 -38.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 2.3 m -71.54 -52.36 18.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.9 t -45.47 -58.84 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -46.42 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.885 HD22 ' HG ' ' A' ' 25' ' ' LEU . 38.7 tp -40.06 -34.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.4 OUTLIER -60.33 -55.73 30.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' A' ' 64' ' ' ILE . 2.2 mm? -67.87 -47.51 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.631 HG21 ' HB1' ' A' ' 28' ' ' ALA . 43.7 t -49.71 -65.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -41.56 -56.11 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 92' ' ' SER . 0.3 OUTLIER -54.26 -46.07 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.646 HD22 HG11 ' A' ' 102' ' ' VAL . 35.2 mt -54.99 -55.25 32.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CZ ' ' O ' ' A' ' 20' ' ' HIS . 7.7 t80 -54.54 -51.12 66.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -53.21 -59.9 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.872 HD21 HH21 ' A' ' 71' ' ' ARG . 10.2 mt -51.08 -45.16 61.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.05 50.71 0.38 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.646 HG11 HD22 ' A' ' 97' ' ' LEU . 74.4 t -111.26 -40.88 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.793 HG22 ' NH2' ' A' ' 31' ' ' ARG . 15.1 pt -110.7 164.33 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' O ' ' NE1' ' A' ' 23' ' ' TRP . 3.7 pt-20 -107.42 164.68 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.33 136.49 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.586 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.2 t80 -60.01 -164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' GLY . 3.3 m -112.82 -100.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.62 -62.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 107' ' ' SER . . . 106.03 -175.76 21.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.22 3.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 63.2 p -170.07 142.3 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.7 m 58.56 84.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -161.74 166.1 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.971 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -163.59 152.27 13.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.01 175.66 16.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.44 1.088 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 p -167.99 143.63 3.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.002 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -154.61 160.64 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.4 -144.39 21.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -171.91 33.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 4.8 tt0 -113.34 23.61 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.5 t 65.82 10.57 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.029 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 12' ' ' GLU . 2.1 mt-10 40.26 69.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' GLU . 4.2 tp10 58.59 115.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.74 145.43 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -126.34 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 87.39 -64.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 2.4 p30 -82.79 -48.51 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 14' ' ' ASP . . . -51.43 -60.85 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -37.48 -58.98 1.32 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.2 mt -41.72 -58.67 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -56.24 -58.08 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.21 103.99 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.526 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 4.7 m-80 -77.13 68.18 3.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CE3' ' OD1' ' A' ' 27' ' ' ASN . 12.0 m95 -108.4 125.69 52.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.48 150.8 41.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.89 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.9 mt -54.5 -48.13 72.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -60.81 -67.3 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' CE3' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -46.9 -58.67 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.845 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -38.05 -61.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HE3' ' HB1' ' A' ' 86' ' ' ALA . 2.9 tttt -40.35 -65.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.32 -57.1 7.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' GLN . 33.0 tpt85 -41.62 -61.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD21 ' SD ' ' A' ' 62' ' ' MET . 39.8 tp -40.33 -51.72 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -57.09 -50.02 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.28 -34.02 55.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 18.9 m-85 -79.26 -24.91 42.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.68 -53.1 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -53.41 57.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 4.2 mm-40 -68.22 -20.16 64.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.6 23.46 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.0 mt -82.43 164.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' N ' HG22 ' A' ' 41' ' ' ILE . 6.5 pt20 -125.96 126.39 44.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.241 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.21 125.42 1.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.21 -175.21 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' OH ' ' HB2' ' A' ' 90' ' ' ALA . 92.5 m-85 -110.56 128.87 55.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 104.57 16.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.641 ' OH ' ' HB2' ' A' ' 86' ' ' ALA . 81.8 m-85 -90.59 120.28 31.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' VAL . 1.8 m -107.59 114.26 28.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.58 117.72 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 HG22 ' A' ' 48' ' ' THR . 15.4 m -120.63 176.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.25 179.24 2.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 155.14 43.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.47 -50.19 65.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 1.2 p-80 -46.0 -45.7 15.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 7.0 t-20 -139.39 84.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -119.44 -179.15 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.535 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 1.1 m -157.38 133.73 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.78 103.52 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 78' ' ' HIS . 49.5 mt -72.06 106.32 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -87.07 109.43 19.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -119.16 132.96 56.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.704 ' SD ' HD21 ' A' ' 32' ' ' LEU . 28.6 ttm -137.97 141.63 40.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -129.24 141.8 51.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 93' ' ' LEU . 3.9 pt -141.88 153.73 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 16.3 t80 -119.14 137.55 53.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.559 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.7 mm -112.11 114.4 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -39.87 65.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 15.9 pt20 -60.43 -16.39 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.559 ' HG ' HG21 ' A' ' 66' ' ' ILE . 7.0 mt -106.7 -38.22 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.25 9.89 57.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 -173.7 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.28 147.82 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 93' ' ' LEU . 28.6 pt -110.41 155.11 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 1.2 t80 -132.06 155.16 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -142.39 154.74 44.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -171.61 89.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 9.9 mm-40 -94.33 179.43 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.679 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.6 t-160 -131.06 49.34 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.56 -167.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -97.93 -62.18 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -110.05 164.74 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 47' ' ' TYR . 10.4 mttt -42.3 -57.17 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -45.05 -70.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' ALA . 4.0 mm? -40.25 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 60' ' ' ALA . . . -35.73 -66.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.641 ' HB2' ' OH ' ' A' ' 47' ' ' TYR . . . -39.46 -62.54 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -41.02 -66.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 4.7 m -41.6 -51.21 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.863 ' O ' HD22 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -51.62 -62.49 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 108.285 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB2' ' OH ' ' A' ' 45' ' ' TYR . . . -44.0 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.89 HD22 ' HG ' ' A' ' 25' ' ' LEU . 48.2 tp -42.4 -35.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.55 -52.08 67.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.863 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.6 mm? -68.69 -39.57 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.845 HG21 ' HB1' ' A' ' 28' ' ' ALA . 60.3 t -53.78 -59.41 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -58.15 5.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -46.23 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 HG11 ' A' ' 102' ' ' VAL . 32.5 mt -53.74 -52.88 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.08 -59.66 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.52 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -46.36 -60.25 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 12.9 mt -49.77 -47.51 50.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 117.49 49.91 0.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.568 HG11 HD22 ' A' ' 97' ' ' LEU . 89.3 t -111.97 -43.79 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 94' ' ' VAL . 22.4 pt -106.86 -173.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.14 147.17 36.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 106' ' ' TYR . . . -39.68 129.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 108' ' ' SER . 2.0 t80 -48.06 178.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.55 34.8 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.576 ' HB2' ' CD2' ' A' ' 106' ' ' TYR . 3.3 t -51.16 -58.1 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.98 -141.52 16.77 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 26.2 p -163.29 141.06 7.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -85.56 -58.8 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -98.36 88.87 4.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.038 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 125.16 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.23 59.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.48 105.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.72 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.56 135.28 1.93 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' GLU . 2.8 mt -104.25 -163.86 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 0.726 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -53.87 -107.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -161.55 83.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.9 83.78 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.31 96.96 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.1 t -131.96 151.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.16 176.42 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -168.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -62.36 -14.29 38.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.44 -58.54 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.47 -53.91 18.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.6 mt -47.69 -65.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -40.12 -61.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.18 102.22 2.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.0 m120 -88.65 63.56 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.586 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 32.3 m95 -102.52 93.14 4.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 25' ' ' LEU . 15.7 p -85.84 146.07 26.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.859 ' HG ' HD22 ' A' ' 91' ' ' LEU . 3.4 mt -31.88 -44.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.1 mm-40 -62.98 -68.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.661 ' ND2' ' CE2' ' A' ' 106' ' ' TYR . 28.0 m120 -44.71 -63.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -33.64 -68.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -46.58 -67.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' LYS . . . -36.91 -63.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -47.1 -54.06 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD23 ' OH ' ' A' ' 45' ' ' TYR . 38.5 tp -42.55 -50.33 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -61.48 -39.57 91.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' ARG . 1.7 mm100 -64.65 -37.17 86.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -67.4 -35.0 78.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 16.7 m-85 -81.97 -19.76 39.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.37 -41.01 13.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -66.99 -53.81 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.15 -17.39 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.94 19.17 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 42' ' ' GLN . 66.2 mt -76.48 165.56 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 41' ' ' ILE . 1.2 pt20 -129.06 127.31 41.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -145.86 132.82 4.71 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -119.42 162.33 19.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.689 ' OH ' HD23 ' A' ' 32' ' ' LEU . 82.9 m-85 -104.57 127.48 52.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -92.14 102.44 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 92.9 m-85 -90.8 119.03 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 m -108.47 113.95 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -77.96 131.37 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -135.67 174.19 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.41 175.31 17.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.4 Cg_endo -74.95 158.15 42.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.51 -56.87 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.587 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 4.2 p-80 -41.28 -39.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.654 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.587 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 6.9 t-20 -145.97 85.65 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.63 163.35 16.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.8 m -129.24 -172.52 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -142.59 106.93 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.94 103.98 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -91.18 110.48 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -121.16 138.15 54.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -141.73 148.4 38.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' ILE . 91.6 m -137.35 140.41 41.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.485 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 4.1 pt -138.52 148.91 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 11.2 t80 -113.38 131.96 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.509 HG21 ' HG ' ' A' ' 69' ' ' LEU . 18.2 mm -105.08 113.51 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -39.02 63.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 11.8 pt20 -60.15 -16.18 30.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' HG ' HG21 ' A' ' 66' ' ' ILE . 16.9 mt -111.57 -29.45 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.52 6.27 80.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -128.29 173.13 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -136.06 143.72 44.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 63' ' ' THR . 26.6 pt -107.48 156.96 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -134.03 154.92 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 93' ' ' LEU . . . -142.21 152.54 43.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -168.15 88.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.18 175.61 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 3.5 t-160 -133.62 71.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.642 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.8 -172.75 33.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -80.13 -64.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 14.2 mttt -50.59 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mttm -39.5 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 85' ' ' ALA . 35.9 mt -39.92 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 60' ' ' ALA . . . -36.68 -66.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . -39.96 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.614 ' O ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -38.15 -36.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.452 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -73.57 -53.51 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.668 ' O ' HD22 ' A' ' 93' ' ' LEU . 3.4 t -50.24 -56.85 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 108.245 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.859 HD22 ' HG ' ' A' ' 25' ' ' LEU . 46.3 tp -41.51 -34.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.6 OUTLIER -59.32 -53.29 59.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.668 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.2 mm? -66.29 -42.45 88.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.703 HG21 ' HB1' ' A' ' 28' ' ' ALA . 79.7 t -54.26 -52.56 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -53.43 29.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.74 -53.0 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -47.8 -54.87 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.703 ' HB2' HD11 ' A' ' 103' ' ' ILE . 4.6 t80 -56.95 -37.47 71.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.597 ' CD2' HD22 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -61.47 -56.45 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 99' ' ' HIS . 1.2 mm? -57.81 -47.47 82.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.48 42.46 0.54 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 103' ' ' ILE . 61.7 t -95.35 -73.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 98' ' ' TYR . 3.3 pt -55.74 -107.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER 172.27 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 104' ' ' GLU . . . -164.88 131.45 2.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.661 ' CE2' ' ND2' ' A' ' 27' ' ' ASN . 1.9 t80 -59.61 -176.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' SER . 0.1 OUTLIER -147.55 29.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 14.9 t -39.1 -56.32 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.42 155.62 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.87 5.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.8 158.63 23.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.916 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -132.54 -58.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -126.6 -58.05 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 0.0 110.068 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.42 -61.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.48 -172.82 53.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -138.11 -68.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m 64.81 142.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.48 40.86 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.73 97.46 11.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -164.26 40.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 p -52.83 90.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' GLU . 5.0 mt-10 -166.93 -173.95 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -137.82 95.04 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.25 -168.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.629 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 1.4 m-20 -77.55 135.55 38.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.5 mm? -100.63 -75.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -85.01 -36.39 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.629 ' HB3' ' CG ' ' A' ' 14' ' ' ASP . . . -52.46 -42.81 64.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.15 -63.52 2.6 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.612 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.0 -50.79 46.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -54.39 -60.01 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.55 118.19 3.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -90.1 43.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 31' ' ' ARG . 22.5 m95 -81.68 102.54 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 25' ' ' LEU . 4.5 p -101.96 146.24 28.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' HG ' HD22 ' A' ' 91' ' ' LEU . 1.6 mt -34.62 -37.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' THR . 10.8 mt-10 -66.02 -62.81 1.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.592 ' ND2' ' CZ ' ' A' ' 106' ' ' TYR . 32.4 m120 -50.38 -63.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -37.83 -64.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ARG . . . -40.96 -64.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -36.58 -59.41 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.831 HD23 ' OH ' ' A' ' 45' ' ' TYR . 17.7 tp -40.23 -58.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -54.2 -40.57 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' ARG . 3.3 mm-40 -61.78 -47.46 85.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -56.97 -29.48 63.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.633 ' HZ ' HG21 ' A' ' 64' ' ' ILE . 19.6 m-85 -86.99 -31.91 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -33.26 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -53.49 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 41' ' ' ILE . 5.4 mm-40 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.49 17.87 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' GLN . 24.1 mt -78.54 165.19 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.7 pt20 -130.04 127.86 40.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.91 136.71 5.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.19 162.29 20.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.76 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.831 ' OH ' HD23 ' A' ' 32' ' ' LEU . 89.6 m-85 -100.95 133.75 44.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.55 105.11 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' A' ' 82' ' ' LYS . 91.5 m-85 -90.78 123.28 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -113.09 107.62 16.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.372 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.69 134.76 40.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.04 -170.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.62 176.38 0.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.132 . . . . 0.0 111.048 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.595 ' CG ' ' CE1' ' A' ' 54' ' ' HIS . 18.3 Cg_endo -75.04 162.21 37.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.55 -55.94 28.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.595 ' CE1' ' CG ' ' A' ' 52' ' ' PRO . 22.0 p-80 -42.75 -33.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.584 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.472 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 33.4 t-20 -151.26 86.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 173.58 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -155.28 135.1 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -95.97 113.1 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 78' ' ' HIS . 4.1 mt -77.77 104.51 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.1 109.92 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -118.44 139.83 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.619 ' SD ' HD21 ' A' ' 32' ' ' LEU . 26.8 ttm -145.84 134.46 22.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.582 HG23 ' HB2' ' A' ' 74' ' ' PHE . 14.7 m -120.97 136.07 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG21 ' HZ ' ' A' ' 36' ' ' PHE . 3.4 pt -135.97 157.95 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 4.1 t80 -120.58 139.14 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.62 HG22 ' HG2' ' A' ' 68' ' ' GLN . 6.1 mm -113.13 124.82 70.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -29.33 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.62 ' HG2' HG22 ' A' ' 66' ' ' ILE . 1.1 pt20 -68.36 -7.98 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.584 ' CD1' HD13 ' A' ' 100' ' ' LEU . 38.8 mt -116.65 -36.75 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.93 54.25 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 2.7 ptm180 -141.3 -171.25 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -138.48 158.23 44.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 pt -123.49 143.85 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.582 ' HB2' HG23 ' A' ' 63' ' ' THR . 0.3 OUTLIER -120.45 151.76 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . . . -138.45 155.08 48.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 2.0 tmm_? -171.77 98.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -113.92 176.16 5.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.248 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.452 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -127.53 61.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.6 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.46 -168.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m -90.23 -50.61 5.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 0.762 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.63 HD22 HD23 ' A' ' 84' ' ' LEU . 4.6 m-80 -129.68 171.91 12.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 47' ' ' TYR . 4.7 mttt -46.54 -44.95 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -72.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD22 ' H ' ' A' ' 84' ' ' LEU . 2.0 mm? -46.57 -71.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -34.2 -54.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 82' ' ' LYS . . . -55.15 -54.16 46.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.489 ' CB ' HD22 ' A' ' 25' ' ' LEU . 2.3 mt-30 -46.83 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.14 -53.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.74 ' O ' HD22 ' A' ' 93' ' ' LEU . 1.8 t -46.78 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.622 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -47.8 -69.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 36.7 tp -40.85 -33.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -59.19 -52.55 65.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.74 HD22 ' O ' ' A' ' 89' ' ' CYS . 1.9 mm? -66.96 -46.78 73.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.588 HG21 ' HB1' ' A' ' 28' ' ' ALA . 15.9 t -51.69 -56.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -45.09 -62.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -56.06 9.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD2' HG11 ' A' ' 102' ' ' VAL . 53.8 mt -44.75 -65.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -44.28 -33.19 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -71.79 -61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.576 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.584 HD13 ' CD1' ' A' ' 69' ' ' LEU . 12.9 mt -46.4 -52.36 13.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 125.06 47.43 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 103' ' ' ILE . 0.8 OUTLIER -102.41 -59.33 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.648 ' N ' HG22 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -90.42 -170.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -135.45 141.79 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.75 141.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.592 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 5.3 t80 -62.29 -164.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t -117.58 -101.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.17 143.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -76.57 -150.41 3.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 77.47 3.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -148.05 162.68 38.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.38 -58.21 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.41 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -138.65 163.69 31.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.15 87.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.64 124.97 52.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.966 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -93.62 132.5 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.69 125.92 1.96 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -116.07 113.91 23.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' GLU . 8.6 pt-20 -147.03 55.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -59.62 85.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HB2' HG12 ' A' ' 13' ' ' VAL . 12.2 pt-20 -137.05 129.89 30.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.242 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -86.75 44.61 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 14' ' ' ASP . 3.2 p -133.66 163.07 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' N ' HG22 ' A' ' 13' ' ' VAL . 1.5 m-20 -139.57 90.12 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 46.73 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 17' ' ' ALA . 12.7 p30 -70.98 -29.43 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 16' ' ' ASN . . . -40.36 -59.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.79 -58.82 2.54 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.49 -59.66 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.74 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -41.65 -68.94 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.04 105.29 0.38 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 2.3 m120 -89.91 65.14 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.489 ' HE3' ' OD1' ' A' ' 27' ' ' ASN . 9.3 m95 -104.92 134.75 47.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.04 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -128.17 146.32 50.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.706 ' HG ' HD22 ' A' ' 91' ' ' LEU . 9.1 mt -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 87' ' ' GLN . 1.3 mm-40 -59.69 -60.18 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' OD1' ' HE3' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -52.13 -64.14 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 94' ' ' VAL . . . -34.08 -51.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.74 -56.21 11.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -63.0 -59.47 4.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -39.55 -49.37 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 36' ' ' PHE . 30.7 tp -51.89 -58.76 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -52.51 -33.87 47.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.65 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.91 -29.65 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 32' ' ' LEU . 19.7 m-85 -82.97 -27.88 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.94 -36.76 41.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -71.83 -60.52 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 2.7 mm-40 -66.26 -15.41 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.44 23.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 42' ' ' GLN . 23.4 mt -81.19 164.47 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 41' ' ' ILE . 13.7 mt-30 -128.47 130.08 47.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.55 134.45 3.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' O ' ' CE ' ' A' ' 62' ' ' MET . 0.5 OUTLIER -121.54 -171.34 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 29' ' ' LYS . 47.6 m-85 -113.72 138.5 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 105.41 15.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.84 120.37 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.5 m -112.83 111.16 21.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' CG ' ' HD3' ' A' ' 56' ' ' ARG . 2.0 tt0 -79.1 126.26 30.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 57' ' ' SER . 15.9 m -131.1 172.4 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.55 177.77 14.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.135 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 18.1 Cg_endo -75.02 160.87 39.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.79 -52.23 66.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 2.8 p-80 -44.99 -36.62 3.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.557 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 19.3 t-20 -147.33 86.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -117.89 165.04 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -144.8 130.36 18.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 49' ' ' GLN . 43.8 m-85 -89.84 105.04 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.57 105.65 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.433 ' CB ' ' HB1' ' A' ' 85' ' ' ALA . . . -89.42 109.55 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -119.91 136.93 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.513 ' SD ' HD21 ' A' ' 32' ' ' LEU . 21.9 ttm -141.46 137.1 31.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 73' ' ' ILE . 87.1 m -126.79 142.34 51.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 3.9 pt -138.91 154.69 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.429 ' HA ' ' CB ' ' A' ' 72' ' ' ARG . 10.0 t80 -118.63 136.41 53.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' HG ' ' A' ' 69' ' ' LEU . 20.6 mm -110.6 117.91 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -38.71 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 66' ' ' ILE . 13.9 pt20 -61.92 -17.95 58.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 102' ' ' VAL . 11.0 mt -104.92 -31.85 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.04 7.2 70.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -134.78 -173.02 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' CB ' ' HA ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -143.15 151.27 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . 33.2 pt -113.34 155.96 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -133.75 154.53 50.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -143.61 151.73 40.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 9.1 ttm180 -166.32 92.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.06 169.32 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.66 60.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.562 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.3 168.15 30.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -69.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -102.06 162.21 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -40.47 -59.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -72.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' ALA . 24.1 mt -39.01 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' LEU . . . -36.05 -67.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.493 ' HB1' ' CE ' ' A' ' 29' ' ' LYS . . . -42.78 -65.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.491 ' HA ' ' CG ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -35.78 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.275 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.433 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -38.03 -39.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.797 ' O ' HD22 ' A' ' 93' ' ' LEU . 2.9 t -61.87 -58.67 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -44.63 -71.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.706 HD22 ' HG ' ' A' ' 25' ' ' LEU . 62.7 tp -40.48 -36.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' CYS . 0.5 OUTLIER -57.65 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 89' ' ' CYS . 2.0 mm? -65.66 -38.78 90.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 28' ' ' ALA . 57.6 t -58.32 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -39.17 -53.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -49.92 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 102' ' ' VAL . 24.2 mt -48.76 -50.43 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -61.95 -55.93 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.512 ' CG ' ' N ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -43.48 -58.36 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.512 ' N ' ' CG ' ' A' ' 99' ' ' HIS . 68.0 mt -55.19 -48.65 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.99 52.46 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.659 ' CG2' HD11 ' A' ' 69' ' ' LEU . 91.8 t -113.1 -39.43 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 94' ' ' VAL . 10.8 pt -113.09 175.97 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 105' ' ' ALA . 1.1 pt-20 -131.6 142.4 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 104' ' ' GLU . . . -37.55 125.47 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 0.9 OUTLIER -43.38 168.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.22 28.49 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 106' ' ' TYR . 0.3 OUTLIER -58.94 -55.13 39.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.51 161.25 29.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 100.07 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.12 -73.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.55 -32.36 6.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.975 . . . . . . . . 0 0 . 1 stop_ save_