data_1ka5_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 1ka5 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' GLU . . . . . 0.506 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.6 pt20 -114.89 -177.6 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -155.84 128.2 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.74 156.57 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -155.48 179.19 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.2 137.03 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.556 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 40.7 mm -81.07 130.55 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.547 HG12 ' CA ' ' A' ' 87' ' ' THR . 16.4 pt -124.89 -1.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.634 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.4 t0 -94.09 123.83 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 1.1 pp20? -68.49 -7.38 31.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 13' ' ' GLY . 91.3 m -88.7 -14.22 37.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.618 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.39 119.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.618 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -22.24 111.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.64 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.85 -166.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.82 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.4 -65.16 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.89 -28.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.464 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.83 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.405 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.4 mtp -56.0 -49.34 73.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -57.58 -51.14 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.6 t -61.97 -43.18 97.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.9 tt0 -62.07 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -54.72 -21.66 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.04 -66.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.56 -40.38 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 13.6 mmtp -33.85 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.2 m-85 -72.07 -81.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.4 t70 169.57 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.613 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.3 157.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.969 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.86 84.75 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.738 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.4 mt -82.52 145.33 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -132.63 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.8 tt -95.19 148.46 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 28.7 tt0 -143.86 147.4 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.707 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 9.1 t80 -154.07 110.02 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.64 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 17.9 p30 50.34 52.37 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.94 74.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.707 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -100.42 90.28 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.93 149.2 23.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.62 -169.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.543 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.35 116.64 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -78.25 22.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -122.32 4.71 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.65 139.57 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -79.93 -53.43 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.23 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.16 -52.47 3.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.509 ' CG2' HD11 ' A' ' 35' ' ' LEU . 96.1 t -60.07 -31.39 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mtp -76.02 -48.65 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -75.84 7.56 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.485 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 6.1 mt -84.35 6.83 21.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.62 47.09 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 8' ' ' ILE . 21.2 t -63.88 62.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.21 167.21 32.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.556 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -71.03 160.37 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 2.6 t70 63.71 5.36 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -97.82 138.32 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.8 mt-10 -96.16 121.32 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -111.11 173.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -151.53 159.26 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -141.03 134.17 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.738 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.9 m-85 -106.4 161.78 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.574 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.02 125.91 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -135.71 90.95 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.78 -148.91 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -97.06 -18.73 19.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -114.1 -0.23 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.613 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.2 -67.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.474 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -44.44 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.1 t0 -63.42 -35.88 81.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -69.92 -34.55 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.8 -35.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 24.3 mm-40 -70.24 -28.75 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.611 ' HB1' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.8 -40.62 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.5 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -57.07 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.605 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -41.02 -33.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.579 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 29.1 t0 -69.62 -47.82 62.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 89.3 t -64.99 -38.54 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 6' ' ' TYR . 32.1 mt -63.3 -51.66 65.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -29.71 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -56.72 -41.99 78.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.34 -44.85 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.27 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.1 mt -76.75 -15.99 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.547 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.9 p -134.89 166.32 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 pt20 -115.69 -178.42 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -156.08 128.35 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.85 156.17 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.8 m-85 -155.08 -179.6 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.05 137.67 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.55 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 30.0 mm -81.78 128.26 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.54 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.8 pt -122.81 -0.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.643 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 65.3 t0 -94.41 124.53 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -7.14 31.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 13' ' ' GLY . 90.5 m -88.7 -15.14 35.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.634 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.84 119.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.634 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.47 110.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.26 -167.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.645 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.55 66.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.0 mtm180 -57.69 -65.31 1.89 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.69 -29.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.487 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -71.37 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 51.5 mtp -56.14 -46.12 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.89 -50.77 72.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.486 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.7 t -62.09 -41.95 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 tt0 -61.75 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.632 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -22.36 15.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.44 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.525 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.26 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -73.1 -43.01 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.942 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.9 mmmm -32.42 -35.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.7 m-85 -70.02 -82.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER 170.12 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.586 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -37.12 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -92.84 85.03 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.746 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.2 mt -82.03 145.48 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.66 144.45 49.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' VAL . 5.4 tt -93.65 151.17 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.711 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 26.7 tt0 -145.5 148.02 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.686 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.3 t80 -154.33 110.19 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.649 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.1 p30 50.62 52.59 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.62 4.85 71.73 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.1 tptt -100.92 91.2 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.74 149.99 23.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.28 -171.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.543 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.525 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -78.33 18.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -116.76 2.07 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.8 t -134.41 145.02 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 48' ' ' MET . 1.1 tp -81.47 -58.45 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -17.9 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -66.25 -67.78 1.89 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.523 ' CG2' HD13 ' A' ' 35' ' ' LEU . 94.8 t -41.04 -33.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.448 ' HG3' HG21 ' A' ' 47' ' ' ILE . 23.7 mtp -79.34 -50.8 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 t -78.86 9.56 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.49 10.82 11.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.627 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.21 46.28 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.534 ' CG1' HG13 ' A' ' 8' ' ' ILE . 11.5 t -62.35 62.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -62.76 166.8 22.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 6.1 ttpp -71.21 160.37 32.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.14 5.47 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' LYS . . . -96.49 137.11 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 44.6 mt-10 -94.71 122.37 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.96 174.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 36' ' ' GLU . 54.1 m -151.05 159.44 44.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.09 135.14 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.746 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.8 m-85 -108.02 160.91 15.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.56 124.4 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.378 1.049 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.13 89.02 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -161.41 -145.12 4.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.4 p -97.81 -25.75 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' ASP . 69.5 m-20 -114.91 6.68 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.586 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -32.69 -61.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.459 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -53.91 -45.4 71.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -63.84 -33.18 75.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -69.98 -34.55 73.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.52 -35.2 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 24.2 mm-40 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 29' ' ' PHE . . . -78.04 -41.15 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.32 -70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.599 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -41.02 -33.89 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.5 t0 -69.58 -47.85 62.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 92.9 t -65.05 -38.37 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 6' ' ' TYR . 33.1 mt -63.01 -51.23 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.94 -30.12 62.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.06 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.576 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.7 mmtt -56.71 -40.73 76.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -83.54 -45.96 12.97 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.02 24.03 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.1 mt -76.16 -16.2 59.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.54 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.6 p -134.73 166.62 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.552 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.535 HG12 ' CA ' ' A' ' 87' ' ' THR . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.619 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.639 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.615 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.608 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.503 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.804 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 42' ' ' VAL . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.712 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.555 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' HD12 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.518 ' CG1' HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.804 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.688 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.493 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 6' ' ' TYR . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.535 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.552 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.535 HG12 ' CA ' ' A' ' 87' ' ' THR . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.619 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.639 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.615 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.608 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.503 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.804 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 42' ' ' VAL . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.712 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.555 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' HD12 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.518 ' CG1' HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.804 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.688 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.493 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 6' ' ' TYR . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.535 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.585 ' OE1' ' CE1' ' A' ' 64' ' ' TYR . 3.2 pt20 -117.75 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 127.37 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.61 156.01 17.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.5 m-85 -155.11 177.32 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.24 136.5 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.54 HG13 ' CG1' ' A' ' 55' ' ' VAL . 34.7 mm -79.35 127.45 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.551 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.5 pt -121.18 -1.32 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 61.5 t0 -93.84 125.84 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -7.02 30.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.481 ' O ' ' O ' ' A' ' 13' ' ' GLY . 71.0 m -90.03 -14.3 34.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 54.86 118.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.637 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.18 108.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.644 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.8 -167.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.91 -26.87 67.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 mtt85 -57.89 -65.02 2.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -75.06 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.83 -32.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.473 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -67.08 -56.08 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.403 ' O ' ' HB ' ' A' ' 25' ' ' THR . 26.1 mtp -56.24 -45.19 80.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.514 HD11 ' CG1' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -61.65 -49.26 77.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 t -64.78 -41.24 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.6 tt0 -61.72 -63.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.588 ' CG2' ' HB2' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -55.26 -32.66 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.355 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.509 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' PHE . 2.9 p -77.31 -42.85 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 10.0 mmtp -36.11 -36.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 73.5 m-85 -79.36 -157.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.0 t70 -122.82 -45.12 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.223 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.76 152.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.97 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -91.92 81.24 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.848 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -79.07 147.5 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -139.15 140.35 37.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.493 HD13 ' CG2' ' A' ' 50' ' ' VAL . 4.7 tt -87.92 152.11 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 25.3 tt0 -147.38 147.73 30.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.652 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 3.4 t80 -155.61 112.57 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.3 p30 50.9 48.42 23.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.46 82.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -99.0 92.13 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.56 149.31 23.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.23 -170.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.545 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -91.57 116.31 28.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -75.28 19.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -123.23 8.69 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' HG21 ' A' ' 50' ' ' VAL . 3.7 t -133.01 139.65 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 20' ' ' THR . 1.1 tp -83.35 -51.8 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -37.36 -30.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.523 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -84.84 -58.03 2.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' HD13 ' A' ' 35' ' ' LEU . 93.8 t -54.97 -32.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.585 0.814 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtp -76.71 -49.88 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.5 m -75.72 3.87 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 9.51 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.77 47.8 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG1' HG13 ' A' ' 8' ' ' ILE . 21.8 t -64.04 62.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.83 170.78 32.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -70.43 160.59 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.3 t70 64.92 5.22 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -96.43 136.23 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 11.7 mt-10 -96.98 117.12 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 pt -107.78 175.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.5 m -154.1 158.82 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -140.14 131.22 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.848 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.1 m-85 -104.08 160.58 14.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.72 123.6 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -135.08 97.17 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -174.58 -147.53 6.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -96.01 -27.29 15.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -108.81 3.78 22.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -32.58 -67.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.47 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -53.42 -42.57 67.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.97 -37.41 82.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.39 -34.88 73.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -71.74 -32.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.47 -29.96 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.234 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.588 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.4 -42.82 29.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -53.78 -73.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.579 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -39.19 -34.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.572 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.6 t0 -69.49 -48.9 59.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 22' ' ' LEU . 94.0 t -64.46 -39.59 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 6' ' ' TYR . 40.0 mt -62.1 -51.4 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 m -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.2 mmtt -57.54 -41.36 80.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.1 mt-10 -82.93 -45.77 13.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.22 24.71 6.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 7.6 mt -75.89 -15.43 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.551 ' CA ' HG12 ' A' ' 9' ' ' ILE . 2.6 p -134.38 165.72 24.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' THR . 2.5 mmtt . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.613 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.547 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.572 HG13 ' CG1' ' A' ' 55' ' ' VAL . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.559 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.626 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.559 HD11 ' CG1' ' A' ' 80' ' ' VAL . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.833 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.692 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.551 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.504 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.572 ' CG1' HG13 ' A' ' 8' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.833 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.703 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.596 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.617 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG1' HD11 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 6' ' ' TYR . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.503 ' OE2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.613 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.1 pt20 -120.8 -176.77 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -157.05 127.04 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.7 156.35 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.4 m-85 -155.24 178.81 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.61 137.23 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.534 HG13 ' CG1' ' A' ' 55' ' ' VAL . 39.0 mm -80.85 129.34 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.546 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.5 pt -123.95 -0.95 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.618 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -94.64 123.86 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -7.84 35.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' GLY . 92.6 m -87.64 -15.21 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.78 118.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.633 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.65 112.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.659 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -110.54 -167.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.33 -21.13 63.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.72 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -62.88 -65.08 2.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.72 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.4 -33.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.524 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -64.67 -57.81 8.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 110.42 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtp -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -61.56 -51.27 69.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.8 t -61.93 -40.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.0 tt0 -62.39 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.52 -24.17 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.2 -59.83 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.8 p -75.28 -42.3 55.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.76 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.0 m-85 -71.99 -89.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.4 t0 173.77 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.83 150.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 78.6 9.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.799 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.19 145.19 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.635 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -134.09 143.69 48.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.3 tt -92.8 148.88 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.701 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 26.4 tt0 -144.19 149.25 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.674 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.7 t80 -155.18 108.58 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.662 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.0 p30 51.47 49.27 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 2.81 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 8.8 tptt -98.53 90.06 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.92 149.3 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.546 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.29 -166.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.546 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 21.2 t-20 -95.92 115.0 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -76.1 19.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.24 5.4 10.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 4.2 t -132.8 133.9 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 20' ' ' THR . 1.1 tp -75.37 -52.95 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.484 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -37.42 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.29 -55.03 2.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.485 ' CG2' HD13 ' A' ' 35' ' ' LEU . 85.1 t -58.51 -32.33 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 mtp -74.75 -48.14 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 m -79.77 9.67 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CG ' HG11 ' A' ' 42' ' ' VAL . 5.7 mt -86.03 10.83 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.34 46.15 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.534 ' CG1' HG13 ' A' ' 8' ' ' ILE . 25.1 t -64.58 62.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.49 168.14 35.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.529 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.0 160.02 33.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.8 t70 64.44 5.52 2.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 56' ' ' GLY . . . -98.04 137.08 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 48.8 mt-10 -95.71 120.44 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.381 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 pt -110.64 174.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 36' ' ' GLU . 52.5 m -151.61 159.87 43.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -141.54 133.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.799 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 31.6 m-85 -107.96 163.31 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.9 127.22 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -137.09 89.68 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.7 -144.79 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 t -98.02 -31.47 12.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ASP . 56.7 m-20 -109.68 7.13 24.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.493 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.64 -60.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.482 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -54.56 -44.66 73.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.916 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.4 t0 -63.43 -33.46 75.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -69.84 -34.11 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.514 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.55 -34.49 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 27.1 mm-40 -70.78 -28.7 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.9 -40.03 41.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -57.83 -72.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.592 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -39.02 -33.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.607 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 21.2 t0 -69.37 -50.78 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 87.1 t -62.2 -39.45 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 6' ' ' TYR . 34.1 mt -61.37 -54.03 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 m -71.88 -29.6 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.362 1.039 . . . . 0.0 109.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 8.2 mtmt -56.3 -41.32 75.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -83.92 -43.96 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.79 24.51 6.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.618 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.0 mt -76.19 -14.97 60.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.33 166.4 23.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.613 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.547 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.572 HG13 ' CG1' ' A' ' 55' ' ' VAL . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.559 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.626 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.559 HD11 ' CG1' ' A' ' 80' ' ' VAL . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.833 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.692 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.551 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.504 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.572 ' CG1' HG13 ' A' ' 8' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.833 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.703 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.596 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.617 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG1' HD11 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 6' ' ' TYR . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.58 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.0 pt20 -120.5 179.89 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 3' ' ' GLN . 4.2 m120 -157.82 130.91 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.644 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.29 159.34 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 5' ' ' SER . 35.2 m-85 -154.49 178.99 9.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.33 135.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.534 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 39.4 mm -80.27 129.72 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.547 HG12 ' CA ' ' A' ' 87' ' ' THR . 14.3 pt -123.06 -1.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.6 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 58.9 t0 -92.67 126.58 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.497 ' HG2' ' CD ' ' A' ' 57' ' ' LYS . 17.8 mm-40 -69.03 -9.06 50.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 13' ' ' GLY . 78.3 m -88.77 -15.23 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.16 119.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.645 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -19.19 110.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.623 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.33 -166.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.2 -27.61 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.068 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.719 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -57.26 -65.0 1.98 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.03 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.79 -29.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.95 -58.13 3.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 0.0 110.422 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.7 mtp -56.42 -46.0 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.55 -49.86 74.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -62.52 -41.46 92.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 tt0 -62.05 -63.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -24.3 23.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.87 -59.03 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -74.78 -43.19 56.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.25 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.403 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 25' ' ' THR . 3.8 m-85 -73.25 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.7 t0 171.75 -54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -35.01 150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.63 77.94 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.808 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -78.98 144.84 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.651 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -135.61 143.06 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 36' ' ' GLU . 5.4 tt -91.72 151.84 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.697 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 24.4 tt0 -147.75 147.21 29.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.669 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.7 t80 -153.66 111.81 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.605 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.4 p30 49.21 50.14 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 77.73 2.41 81.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.669 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.2 tptt -97.95 91.16 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -88.68 149.33 23.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.71 -168.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.572 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 23.7 t-20 -93.87 115.34 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -74.8 17.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.47 7.71 10.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.3 t -132.37 137.87 47.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -81.56 -53.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.497 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.54 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.54 -54.81 2.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 35' ' ' LEU . 90.4 t -58.43 -30.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.2 mtp -78.27 -50.12 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -74.97 4.8 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.64 8.56 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.635 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.9 48.04 0.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.525 ' CG1' HG13 ' A' ' 8' ' ' ILE . 37.1 t -61.84 63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -63.05 166.95 23.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.29 162.43 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 1.6 t70 64.19 5.61 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -98.35 138.33 35.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 6.0 mt-10 -96.77 119.59 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 37' ' ' TYR . 3.4 pt -110.0 173.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -150.68 158.53 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.66 133.89 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.808 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.2 m-85 -106.5 163.04 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.52 123.29 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -135.2 95.79 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -173.26 -146.49 5.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -96.76 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 0.801 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.15 3.11 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -31.71 -67.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.37 -44.0 68.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -61.3 -36.46 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -70.11 -38.03 75.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -68.5 -32.84 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 21.4 mm-40 -71.83 -30.05 65.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.18 -38.01 44.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.509 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -57.7 -72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -38.95 -33.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 26.1 t70 -69.35 -51.29 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.511 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 94.8 t -61.87 -38.7 81.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.546 HD11 ' CD2' ' A' ' 6' ' ' TYR . 35.6 mt -61.72 -54.14 46.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.1 m -71.82 -30.17 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 9.3 mtmt -55.66 -41.36 73.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -83.64 -44.25 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.54 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.6 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -76.68 -16.67 59.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.547 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.1 p -134.98 166.48 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.624 ' CD ' ' HA ' ' A' ' 71' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.62 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.8 pt20 -119.26 -179.9 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -153.19 127.84 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.88 155.91 17.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.8 m-85 -154.94 -179.52 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.09 138.33 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.552 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 39.8 mm -82.57 130.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.55 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.4 pt -124.24 -1.73 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.2 t0 -93.77 124.45 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -7.97 35.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' ' O ' ' A' ' 13' ' ' GLY . 87.2 m -89.24 -14.47 35.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.632 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.15 118.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.632 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.75 109.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.57 -167.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.7 67.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.66 -65.23 1.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.412 1.743 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.96 -29.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.468 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.57 -56.82 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.8 mtp -56.39 -49.68 73.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.82 -49.94 74.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.6 t -63.0 -42.65 97.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -62.0 -62.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.89 -25.23 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -67.38 -55.65 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' PHE . 4.6 p -75.26 -40.4 58.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -33.11 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.365 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.745 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 54.4 m-85 -75.78 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.8 t0 -179.07 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.97 151.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 78.62 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.85 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.0 mt -78.81 146.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -133.91 147.58 51.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.5 139.21 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.2 tt0 -136.51 150.3 48.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.705 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 10.8 t80 -156.82 108.66 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.63 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.7 p30 50.14 50.85 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 78.12 2.22 82.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.705 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 3.9 tptt -97.18 88.99 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.11 147.79 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.634 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -150.6 -166.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.541 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.04 116.97 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 ' CD2' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -77.92 20.46 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -120.99 5.41 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.21 146.01 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -85.69 -54.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.492 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 3.9 mtp -36.79 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -84.25 -55.33 2.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' HD11 ' A' ' 35' ' ' LEU . 96.3 t -57.48 -31.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.1 mtp -76.06 -47.61 23.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.0 m -75.55 5.32 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 7.1 mt -83.75 8.13 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 35.07 47.4 0.72 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.529 ' CG1' HG13 ' A' ' 8' ' ' ILE . 21.4 t -63.87 61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.1 168.01 34.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.02 159.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.15 5.72 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -99.05 138.38 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.7 mt-10 -96.5 122.73 39.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 37' ' ' TYR . 2.7 pt -111.4 174.3 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.604 ' O ' ' N ' ' A' ' 36' ' ' GLU . 61.0 m -152.06 156.4 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.353 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -138.43 135.21 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.85 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.5 m-85 -106.62 160.32 15.53 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.04 121.57 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -132.47 93.52 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -167.83 -147.61 5.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -95.01 -28.65 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 109.938 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 72' ' ' ASP . 85.3 m-20 -112.67 7.76 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -33.61 -50.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.624 ' HA ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -64.11 -44.45 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.78 -36.68 79.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.378 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.745 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.84 -35.41 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.493 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -72.53 -33.65 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.3 mm-40 -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.576 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.2 -41.19 35.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -53.58 -70.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.35 -34.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 19.6 t0 -70.23 -50.29 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.513 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 77.2 t -61.84 -38.86 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 6' ' ' TYR . 33.9 mt -61.38 -53.55 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 m -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 10.6 mtmt -56.04 -41.58 75.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.59 -44.2 16.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.26 23.76 6.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 6.1 mt -77.2 -16.88 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.5 p -134.48 166.05 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 70' ' ' GLU . 1.1 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 64' ' ' TYR . 6.3 pt20 -159.0 166.39 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -160.18 132.29 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -102.42 158.29 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.5 m-85 -155.24 177.66 11.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -128.73 136.64 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.567 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 33.4 mm -80.74 127.42 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.523 HG12 ' CA ' ' A' ' 87' ' ' THR . 16.5 pt -122.24 -0.19 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.681 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 43.4 t0 -94.24 124.8 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.53 -7.7 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.056 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' GLY . 89.6 m -89.87 -13.89 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.2 119.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.635 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.41 109.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.628 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.37 -167.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -54.79 -65.53 1.31 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.73 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -74.98 -50.29 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.5 -29.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.62 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mtp -56.17 -45.84 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.1 -49.99 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -63.38 -41.46 92.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -61.89 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.617 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.86 -22.94 16.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.74 -57.89 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 29' ' ' PHE . 97.6 p -75.68 -42.28 51.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 2.0 mmmm -33.19 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -73.49 -87.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 31' ' ' SER . 4.9 t0 172.61 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.568 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.29 157.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.6 84.21 5.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.734 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.09 144.22 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.12 147.06 50.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.682 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -98.2 136.94 37.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 23.4 tt0 -132.1 150.9 52.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 1.207 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.701 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 5.3 t80 -156.26 107.06 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.701 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.0 p30 52.92 50.8 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.7 4.02 80.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.9 tptt -100.32 92.21 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.45 149.92 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.682 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -150.35 -165.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.571 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -97.08 112.53 24.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -75.44 18.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -116.58 2.57 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -131.87 145.48 51.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -85.59 -51.38 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.451 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.81 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.69 -56.86 2.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.474 ' CG2' HD13 ' A' ' 35' ' ' LEU . 57.8 t -57.13 -28.97 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 mtp -79.3 -50.91 10.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 m -75.22 6.83 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.583 ' CD2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.68 10.94 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.7 48.06 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.533 ' CG1' HG13 ' A' ' 8' ' ' ILE . 12.4 t -62.96 62.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -64.49 167.51 28.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.38 161.29 31.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER 65.34 5.3 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -99.67 135.61 40.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 17.3 mt-10 -94.42 120.13 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.524 HG22 ' CD1' ' A' ' 37' ' ' TYR . 2.2 pt -110.42 168.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 36' ' ' GLU . 76.1 m -146.55 155.22 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -136.23 137.63 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.734 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 53.0 m-85 -113.46 163.16 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.634 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.29 128.08 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -135.2 90.02 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.41 -143.88 3.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m -97.43 -29.2 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 72' ' ' ASP . 79.5 m-20 -111.52 7.3 20.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.568 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.99 -64.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -53.34 -44.27 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -63.33 -35.4 80.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -70.26 -35.7 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.525 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -73.31 -30.19 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.6 mm-40 -73.46 -28.83 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.32 -41.28 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -52.27 -69.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.559 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.16 -34.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.09 . . . . 0.0 109.932 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 24.8 t0 -69.71 -47.78 61.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 77' ' ' ILE . 85.5 t -64.59 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 6' ' ' TYR . 32.0 mt -62.24 -51.13 68.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -73.65 -29.86 62.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.11 -41.24 78.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.2 mt-10 -82.13 -45.74 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.24 24.79 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.0 mt -77.44 -15.28 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.523 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.2 p -134.91 165.91 24.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.673 ' OE2' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.597 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 pt20 -134.11 -179.47 5.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.47 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.69 129.8 6.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.629 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.22 158.72 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.946 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.3 m-85 -153.48 179.33 8.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.35 135.99 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.563 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 41.3 mm -80.06 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.55 HG12 ' CA ' ' A' ' 87' ' ' THR . 13.0 pt -123.28 -2.99 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 49.6 t0 -92.94 122.88 35.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.366 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -66.89 -8.21 27.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 13' ' ' GLY . 87.1 m -87.83 -15.44 36.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.643 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 118.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -19.45 113.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 0.724 . . . . 0.0 109.193 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.664 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -112.39 -169.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.531 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -21.68 65.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.736 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -62.51 -65.91 1.86 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.736 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.98 -48.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.2 -29.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.462 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.13 -57.08 5.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.8 mtp -56.25 -44.53 79.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -62.64 -51.02 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.4 t -61.89 -40.59 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.4 tt0 -62.48 -63.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.43 -22.92 22.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.97 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -72.96 -43.64 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.18 -35.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.3 m-85 -70.72 -86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.6 t70 173.78 -60.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.86 158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 84.59 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.708 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.4 mp -80.44 144.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.706 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -131.58 146.7 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' HG22 ' A' ' 50' ' ' VAL . 5.4 tt -97.9 152.95 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.726 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.5 tt0 -147.47 149.18 32.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.679 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 4.0 t80 -155.12 110.37 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.679 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.95 50.8 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.6 4.51 75.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.1 tptt -100.87 92.74 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.55 150.56 23.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.568 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.35 -170.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.588 ' C ' ' H ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -93.59 112.46 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.518 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -72.91 20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.588 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -120.34 5.53 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -131.84 144.56 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -86.54 -53.53 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.22 -29.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.541 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.11 -54.55 2.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 35' ' ' LEU . 75.4 t -59.62 -29.09 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -78.97 -49.82 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -75.31 4.78 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.57 9.86 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.92 47.61 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 8' ' ' ILE . 57.0 t -63.24 62.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.13 169.39 31.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 7.0 ttmt -70.93 162.44 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.7 t70 64.75 5.37 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -100.16 138.42 37.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 24.4 mt-10 -98.19 121.74 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pt -111.68 170.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.597 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.3 m -147.64 159.45 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.99 136.65 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.708 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.9 m-85 -110.03 164.08 12.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.62 127.59 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.56 89.32 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.71 -143.84 3.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -96.49 -32.92 12.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.769 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 72' ' ' ASP . 25.5 m-20 -108.95 8.33 26.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.673 ' C ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -30.47 -66.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.476 ' N ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -52.6 -45.12 66.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -61.14 -34.13 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -70.28 -37.04 74.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.519 HG13 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -69.56 -33.56 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 21.8 mm-40 -70.52 -29.55 66.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.572 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.22 -38.63 42.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -57.27 -70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.35 -33.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 28.4 t0 -69.38 -48.34 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 87.5 t -64.49 -38.42 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 6' ' ' TYR . 34.8 mt -63.23 -51.9 64.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -73.25 -29.58 62.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.565 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -57.22 -41.86 80.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.08 -45.09 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.67 23.73 6.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.5 p -134.75 166.81 22.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 29.2 mttt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.483 ' OE1' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.594 ' OE1' ' CE1' ' A' ' 64' ' ' TYR . 4.0 pt20 -116.7 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -154.17 126.95 8.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.99 155.67 17.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.6 m-85 -154.58 177.22 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -128.15 135.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.543 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 40.2 mm -80.07 128.58 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.532 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.1 pt -122.22 -1.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t0 -92.5 123.29 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.66 -7.38 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' GLY . 88.2 m -89.84 -13.36 36.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 117.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.94 110.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 0.73 . . . . 0.0 109.364 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.634 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.66 -166.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.577 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -27.54 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 mtt180 -56.88 -65.38 1.72 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.98 -30.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.95 -55.04 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.61 -45.19 81.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 ' CG1' ' A' ' 80' ' ' VAL . 1.8 tp -61.51 -48.42 81.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 1.8 t -65.58 -42.1 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -60.57 -62.13 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.41 -35.42 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.12 -38.24 78.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.6 p -78.37 -46.53 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -35.46 -35.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 25' ' ' THR . 58.8 m-85 -77.75 -158.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -122.97 -42.78 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.53 151.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -90.23 79.6 6.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.831 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.1 mp -78.04 148.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -138.69 143.65 39.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.64 144.74 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.688 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.9 tt0 -141.45 147.64 38.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 9.3 t80 -154.76 110.28 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.636 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 18.5 p30 50.22 51.28 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 76.0 5.33 80.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.3 tptt -100.6 89.82 4.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.95 148.98 23.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.583 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -150.83 -166.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.527 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -94.62 116.94 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.527 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -77.11 18.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.387 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -121.57 7.35 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -133.94 137.07 44.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' N ' ' A' ' 20' ' ' THR . 1.1 tp -79.27 -51.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.472 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.3 -33.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -83.86 -54.33 3.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 35' ' ' LEU . 60.4 t -56.56 -33.79 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.4 mtp -74.38 -48.08 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 m -76.79 5.79 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 6.9 mt -83.4 8.7 12.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.86 46.69 0.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.536 ' CG1' HG13 ' A' ' 8' ' ' ILE . 44.3 t -65.07 62.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -68.04 169.19 39.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -71.12 159.86 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.1 t70 65.47 5.0 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -99.58 137.23 38.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 87.4 mt-10 -96.3 120.5 36.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.432 HG22 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -108.56 174.93 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 36' ' ' GLU . 63.0 m -152.81 158.75 42.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -140.47 132.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.831 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -104.93 160.86 14.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.34 122.24 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 22.5 t0 -133.11 96.73 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -175.3 -147.91 6.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -95.88 -28.44 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.15 3.02 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -32.89 -66.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.483 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.49 -43.73 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.98 -36.67 80.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.601 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.2 -35.19 73.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.73 -33.91 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 26.5 mm-40 -71.07 -30.03 66.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.59 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.02 -40.28 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -56.86 -72.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.605 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -39.91 -33.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.069 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.597 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 21.3 t0 -68.67 -48.0 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' A' ' 22' ' ' LEU . 59.9 t -65.5 -39.93 86.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 6' ' ' TYR . 43.1 mt -62.77 -50.19 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -74.72 -29.88 61.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.597 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.6 mmtt -57.14 -41.24 78.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -84.48 -45.87 12.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.18 26.17 6.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 3.9 mt -78.27 -17.91 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 7.3 p -129.56 175.92 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.636 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.629 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.2 pt20 -119.73 177.88 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 4.2 m120 -155.06 130.15 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.53 157.76 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.997 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.4 m-85 -154.56 179.6 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -130.83 135.52 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.4 mm -79.83 129.97 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.545 HG12 ' CA ' ' A' ' 87' ' ' THR . 14.6 pt -124.18 -1.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.627 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.1 t0 -93.67 124.87 37.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.59 -9.18 48.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 81.5 m -87.54 -15.22 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.67 119.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -20.92 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.34 -167.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.91 -27.55 68.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.731 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -56.98 -65.55 1.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.95 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.14 -33.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.495 ' N ' HD13 ' A' ' 47' ' ' ILE . 2.8 m -66.86 -57.72 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtp -56.01 -46.83 78.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.29 -51.31 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -61.8 -41.73 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.1 tt0 -62.62 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.626 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.78 -23.4 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.03 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' PHE . 76.9 p -73.97 -41.89 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -31.94 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -72.0 -92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 5.1 t70 -179.03 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.77 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.034 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.04 82.38 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.809 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.8 mt -79.49 144.25 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.621 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.93 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.647 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.69 138.09 33.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.658 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -136.34 148.66 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.698 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 8.9 t80 -156.01 109.81 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.2 50.05 19.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.17 4.03 82.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.698 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tptm -98.9 90.69 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -89.05 148.62 23.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -151.03 -166.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.561 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.15 114.69 26.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD11 ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -76.36 21.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -120.41 4.78 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -132.55 146.19 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.055 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.495 HD13 ' N ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -86.96 -50.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.408 1.067 . . . . 0.0 109.394 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -36.62 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.543 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.25 -59.76 1.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.499 HG22 ' CD1' ' A' ' 35' ' ' LEU . 54.2 t -52.83 -30.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.4 ' C ' ' H ' ' A' ' 53' ' ' LEU . 23.9 mtp -78.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 t -74.76 6.58 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.564 ' CD2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.61 10.28 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.606 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.26 48.36 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG1' HG13 ' A' ' 8' ' ' ILE . 24.5 t -63.28 62.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.72 167.71 33.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.577 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.14 162.53 29.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 64.12 6.53 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -102.14 137.49 40.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 20.1 mt-10 -96.24 122.44 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 37' ' ' TYR . 2.4 pt -110.65 172.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 36' ' ' GLU . 88.5 m -150.71 156.64 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.621 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -140.14 134.15 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.809 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.5 m-85 -105.24 165.05 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.592 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.92 128.76 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -135.51 92.41 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.56 -152.59 7.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 t -94.34 -22.2 18.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 72' ' ' ASP . 13.6 m-20 -116.41 6.03 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -31.26 -51.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.227 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.572 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.58 -46.15 91.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.958 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -60.85 -34.52 74.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.608 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -70.36 -38.07 74.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.636 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -74.09 -33.94 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.539 ' OE1' ' O ' ' A' ' 71' ' ' SER . 1.3 mp0 -67.92 -30.69 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.548 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.47 -41.55 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.519 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -52.25 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.547 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.73 -34.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.578 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.3 t0 -70.21 -47.27 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.518 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 96.1 t -64.97 -38.64 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 6' ' ' TYR . 32.3 mt -62.69 -51.2 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -74.54 -29.55 61.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.1 mmtt -57.41 -41.95 81.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -81.45 -46.32 14.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.05 24.05 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.3 mt -77.59 -16.94 58.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.545 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.62 167.19 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mmtp . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.2 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.496 ' OE1' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.611 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 pt20 -121.35 179.83 4.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.3 131.92 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.1 159.49 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.933 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.6 m-85 -154.59 -178.84 7.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -128.88 143.95 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.509 HG13 ' CG1' ' A' ' 55' ' ' VAL . 31.2 mm -91.31 126.2 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 HG12 ' CA ' ' A' ' 87' ' ' THR . 31.5 pt -120.51 -2.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 59.5 t0 -91.66 122.74 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -68.59 -8.13 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 15' ' ' HIS . 90.9 m -88.29 -14.57 37.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.9 119.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.633 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.53 112.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.666 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -111.77 -166.43 1.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.586 1.179 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.96 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.2 mtm180 -58.08 -65.29 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.04 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.22 -27.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.622 1.201 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -73.95 -57.86 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.3 mtp -55.98 -47.57 77.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD13 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.32 -50.47 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 t -61.99 -41.86 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -61.9 -61.95 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.66 -25.17 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.484 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.47 -54.75 14.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.2 p -74.73 -41.39 60.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -33.58 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 51.2 m-85 -75.5 -94.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . 15.5 t70 175.93 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.64 150.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 78.65 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.819 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -79.01 145.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.625 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.71 145.39 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.9 tt -92.93 147.83 22.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 25.9 tt0 -144.02 148.73 35.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.666 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.1 t80 -155.77 110.64 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.4 p30 49.77 48.93 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.33 1.82 86.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -96.88 89.94 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.81 149.71 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -150.2 -168.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.54 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.26 116.76 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 ' CD2' HG21 ' A' ' 33' ' ' ILE . 1.1 tp -79.18 18.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 43' ' ' ASN . 2.9 mmmt -119.08 4.07 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -136.04 143.05 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -81.05 -54.89 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.519 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.65 -28.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -86.04 -44.28 6.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.496 ' CG2' HD12 ' A' ' 35' ' ' LEU . 71.3 t -71.48 -33.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.8 mtp -75.33 -50.67 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -54.39 -17.32 2.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.56 154.26 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -98.02 53.94 1.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.542 ' CG1' ' HB ' ' A' ' 14' ' ' ILE . 4.8 t -65.94 60.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -73.95 166.47 54.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -64.64 155.46 33.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.751 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 65.45 4.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 56' ' ' GLY . . . -94.67 137.41 33.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 53.5 mt-10 -96.61 120.61 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pt -110.43 175.61 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.8 m -152.2 158.52 42.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.54 134.41 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.819 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 8.1 m-85 -105.8 161.47 14.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.587 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.01 122.85 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.85 98.68 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -177.85 -151.67 9.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -93.6 -21.63 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.076 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.92 1.12 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -31.58 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.15 -44.83 71.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -61.04 -35.8 77.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.65 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.1 -34.55 73.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.506 HG13 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.39 -32.94 44.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.19 -30.95 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.63 -41.51 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.512 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -54.05 -70.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.613 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -41.04 -33.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.8 t0 -70.41 -47.79 59.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 99.6 t -64.46 -39.06 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 6' ' ' TYR . 31.5 mt -63.62 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -73.92 -29.65 62.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.584 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.2 mmtt -57.01 -40.66 77.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.97 -43.87 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.9 26.24 6.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.568 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 3.0 mt -79.18 -18.84 52.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 18.4 p -128.75 173.77 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE2' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 pt20 -119.92 178.47 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -153.86 127.98 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.16 156.33 17.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -154.91 -178.51 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -132.49 137.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.0 mm -81.22 129.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.535 HG12 ' CA ' ' A' ' 87' ' ' THR . 15.8 pt -122.67 -2.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.58 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -93.76 124.74 37.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -8.52 38.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.508 HG23 ' CD2' ' A' ' 15' ' ' HIS . 86.3 m -88.53 -15.16 35.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.63 119.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.626 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.43 110.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.681 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.24 -168.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.519 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -25.27 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -59.04 -65.6 1.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.73 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.81 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.05 -29.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.468 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.81 -56.43 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.6 mtp -56.24 -46.58 79.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.83 -50.36 73.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.3 t -62.57 -41.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.4 tt0 -61.66 -61.31 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.61 ' CG2' ' HB2' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -56.75 -32.5 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.73 -39.36 80.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 5.9 m -80.02 -44.2 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 1.5 mmmm -34.71 -36.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.631 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 68.8 m-85 -76.54 -157.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 31' ' ' SER . 2.7 t70 -118.12 -53.34 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.94 157.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.977 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.96 88.71 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.807 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -80.88 147.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.4 145.71 49.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.24 139.78 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -137.0 149.11 47.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.694 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 10.1 t80 -154.9 106.83 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.648 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 50.82 50.6 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.4 1.35 86.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -96.42 88.56 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.97 147.4 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -150.72 -165.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.541 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.8 115.4 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.517 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -76.18 18.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -119.2 5.32 11.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -132.99 143.69 49.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.07 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -84.06 -53.46 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.485 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.91 -31.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.07 -54.73 2.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.517 ' CG2' HD13 ' A' ' 35' ' ' LEU . 97.6 t -57.15 -31.41 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 109.343 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.0 mtp -76.49 -48.41 19.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -74.85 4.08 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 7.6 mt -82.19 7.46 13.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.21 47.63 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.541 ' CG1' HG13 ' A' ' 8' ' ' ILE . 16.3 t -64.08 62.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.01 168.4 33.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.546 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.03 159.29 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.5 t70 64.43 4.86 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -97.31 137.45 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 18.4 mt-10 -95.98 122.91 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' CD1' ' A' ' 37' ' ' TYR . 2.4 pt -112.37 172.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 36' ' ' GLU . 73.9 m -150.31 156.32 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -137.82 134.23 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.807 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.9 m-85 -106.8 159.31 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.86 122.02 5.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -130.95 96.79 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -170.26 -149.29 6.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 t -94.9 -22.74 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASP . 20.4 m-20 -117.72 6.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.606 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.3 pt-20 -34.16 -50.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.492 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -62.57 -44.34 96.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -63.84 -34.12 77.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.631 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.18 -33.8 72.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.522 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -73.57 -33.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.5 mm-40 -71.23 -28.07 63.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.61 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.33 -39.68 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.85 -70.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.68 -34.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.577 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 25.4 t0 -68.4 -48.12 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 89.5 t -64.92 -38.68 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.58 HD12 ' CD2' ' A' ' 6' ' ' TYR . 34.2 mt -63.17 -50.82 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.73 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.1 mmtt -57.2 -41.9 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.22 -45.45 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.98 24.75 6.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.6 mt -77.44 -15.97 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.535 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.0 p -134.81 165.92 24.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 1.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.518 0.199 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.506 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -117.34 128.78 55.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.6 pt20 -114.89 -177.6 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -155.84 128.2 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.74 156.57 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -155.48 179.19 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.2 137.03 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.556 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 40.7 mm -81.07 130.55 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.547 HG12 ' CA ' ' A' ' 87' ' ' THR . 16.4 pt -124.89 -1.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.634 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.4 t0 -94.09 123.83 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 1.1 pp20? -68.49 -7.38 31.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 13' ' ' GLY . 91.3 m -88.7 -14.22 37.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.618 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.39 119.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.618 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -22.24 111.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.64 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.85 -166.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.82 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.4 -65.16 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.89 -28.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.464 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.83 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.405 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.4 mtp -56.0 -49.34 73.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -57.58 -51.14 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.6 t -61.97 -43.18 97.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.9 tt0 -62.07 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -54.72 -21.66 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.04 -66.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.56 -40.38 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 13.6 mmtp -33.85 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.2 m-85 -72.07 -81.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.4 t70 169.57 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.613 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.3 157.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.969 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.86 84.75 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.738 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.4 mt -82.52 145.33 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -132.63 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.8 tt -95.19 148.46 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 28.7 tt0 -143.86 147.4 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.707 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 9.1 t80 -154.07 110.02 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.64 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 17.9 p30 50.34 52.37 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.94 74.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.707 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -100.42 90.28 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.93 149.2 23.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.543 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.62 -169.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.543 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.35 116.64 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.505 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -78.25 22.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -122.32 4.71 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.65 139.57 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -79.93 -53.43 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.23 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.16 -52.47 3.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.509 ' CG2' HD11 ' A' ' 35' ' ' LEU . 96.1 t -60.07 -31.39 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mtp -76.02 -48.65 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -75.84 7.56 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.485 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 6.1 mt -84.35 6.83 21.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.62 47.09 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 8' ' ' ILE . 21.2 t -63.88 62.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.21 167.21 32.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.556 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -71.03 160.37 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 2.6 t70 63.71 5.36 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -97.82 138.32 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.8 mt-10 -96.16 121.32 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -111.11 173.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -151.53 159.26 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -141.03 134.17 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.738 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.9 m-85 -106.4 161.78 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.574 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.02 125.91 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -135.71 90.95 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.78 -148.91 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -97.06 -18.73 19.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -114.1 -0.23 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.613 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.2 -67.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.474 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -44.44 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.1 t0 -63.42 -35.88 81.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -69.92 -34.55 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.8 -35.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 24.3 mm-40 -70.24 -28.75 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.611 ' HB1' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.8 -40.62 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.5 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -57.07 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.605 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -41.02 -33.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.579 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 29.1 t0 -69.62 -47.82 62.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 89.3 t -64.99 -38.54 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 6' ' ' TYR . 32.1 mt -63.3 -51.66 65.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -29.71 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -56.72 -41.99 78.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.34 -44.85 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.27 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.1 mt -76.75 -15.99 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.547 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.9 p -134.89 166.32 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 66' ' ' ASP . 4.1 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.552 0.215 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -117.2 129.74 56.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.591 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 pt20 -115.69 -178.42 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -156.08 128.35 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.85 156.17 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.8 m-85 -155.08 -179.6 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.05 137.67 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.55 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 30.0 mm -81.78 128.26 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.54 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.8 pt -122.81 -0.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.643 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 65.3 t0 -94.41 124.53 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -7.14 31.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 13' ' ' GLY . 90.5 m -88.7 -15.14 35.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.634 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.84 119.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.634 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.47 110.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.26 -167.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.645 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.55 66.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.0 mtm180 -57.69 -65.31 1.89 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.69 -29.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.487 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -71.37 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 51.5 mtp -56.14 -46.12 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.89 -50.77 72.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.486 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.7 t -62.09 -41.95 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 tt0 -61.75 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.632 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -22.36 15.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.44 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.525 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.26 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -73.1 -43.01 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.942 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.9 mmmm -32.42 -35.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.7 m-85 -70.02 -82.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER 170.12 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.586 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -37.12 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -92.84 85.03 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.746 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.2 mt -82.03 145.48 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.66 144.45 49.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' VAL . 5.4 tt -93.65 151.17 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.711 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 26.7 tt0 -145.5 148.02 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.686 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.3 t80 -154.33 110.19 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.649 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.1 p30 50.62 52.59 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.62 4.85 71.73 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.1 tptt -100.92 91.2 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.74 149.99 23.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.28 -171.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.543 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.525 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -78.33 18.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -116.76 2.07 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 50' ' ' VAL . 1.8 t -134.41 145.02 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.592 ' O ' ' C ' ' A' ' 48' ' ' MET . 1.1 tp -81.47 -58.45 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -17.9 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -66.25 -67.78 1.89 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.523 ' CG2' HD13 ' A' ' 35' ' ' LEU . 94.8 t -41.04 -33.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.448 ' HG3' HG21 ' A' ' 47' ' ' ILE . 23.7 mtp -79.34 -50.8 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 t -78.86 9.56 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.55 ' CD2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.49 10.82 11.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.627 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.21 46.28 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.534 ' CG1' HG13 ' A' ' 8' ' ' ILE . 11.5 t -62.35 62.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -62.76 166.8 22.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.55 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 6.1 ttpp -71.21 160.37 32.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.14 5.47 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 57' ' ' LYS . . . -96.49 137.11 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 44.6 mt-10 -94.71 122.37 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.96 174.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 36' ' ' GLU . 54.1 m -151.05 159.44 44.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.09 135.14 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.746 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.8 m-85 -108.02 160.91 15.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.56 124.4 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.378 1.049 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 22.8 t0 -136.13 89.02 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -161.41 -145.12 4.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.4 p -97.81 -25.75 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' ASP . 69.5 m-20 -114.91 6.68 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.586 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -32.69 -61.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.459 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -53.91 -45.4 71.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -63.84 -33.18 75.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -69.98 -34.55 73.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.52 -35.2 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 24.2 mm-40 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 29' ' ' PHE . . . -78.04 -41.15 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.32 -70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.599 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -41.02 -33.89 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.5 t0 -69.58 -47.85 62.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 92.9 t -65.05 -38.37 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 6' ' ' TYR . 33.1 mt -63.01 -51.23 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.94 -30.12 62.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.06 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.576 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.7 mmtt -56.71 -40.73 76.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -83.54 -45.96 12.97 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.02 24.03 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.643 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.1 mt -76.16 -16.2 59.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.54 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.6 p -134.73 166.62 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -148.82 135.82 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.552 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.535 HG12 ' CA ' ' A' ' 87' ' ' THR . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.619 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.639 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.615 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.608 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.503 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.804 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 42' ' ' VAL . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.712 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.555 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' HD12 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 ' CG1' HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.804 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.688 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.493 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 6' ' ' TYR . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.535 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -148.82 135.82 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.552 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.535 HG12 ' CA ' ' A' ' 87' ' ' THR . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.619 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.639 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.615 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.608 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.503 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.688 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.804 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 42' ' ' VAL . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.712 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.555 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' HD12 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 ' CG1' HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.804 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.688 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.519 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.493 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 6' ' ' TYR . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.535 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.48 0.181 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -113.86 131.04 56.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.585 ' OE1' ' CE1' ' A' ' 64' ' ' TYR . 3.2 pt20 -117.75 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 127.37 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.61 156.01 17.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.5 m-85 -155.11 177.32 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.24 136.5 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.54 HG13 ' CG1' ' A' ' 55' ' ' VAL . 34.7 mm -79.35 127.45 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.551 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.5 pt -121.18 -1.32 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 61.5 t0 -93.84 125.84 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -7.02 30.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.481 ' O ' ' O ' ' A' ' 13' ' ' GLY . 71.0 m -90.03 -14.3 34.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 54.86 118.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.637 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.18 108.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.644 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.8 -167.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.91 -26.87 67.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 mtt85 -57.89 -65.02 2.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -75.06 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.83 -32.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.473 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -67.08 -56.08 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.403 ' O ' ' HB ' ' A' ' 25' ' ' THR . 26.1 mtp -56.24 -45.19 80.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.514 HD11 ' CG1' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -61.65 -49.26 77.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 t -64.78 -41.24 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.6 tt0 -61.72 -63.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.588 ' CG2' ' HB2' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -55.26 -32.66 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.355 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' PHE . 2.9 p -77.31 -42.85 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 10.0 mmtp -36.11 -36.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 73.5 m-85 -79.36 -157.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.0 t70 -122.82 -45.12 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.223 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.76 152.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.97 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -91.92 81.24 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.848 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -79.07 147.5 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -139.15 140.35 37.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.493 HD13 ' CG2' ' A' ' 50' ' ' VAL . 4.7 tt -87.92 152.11 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 25.3 tt0 -147.38 147.73 30.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.652 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 3.4 t80 -155.61 112.57 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.3 p30 50.9 48.42 23.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.46 82.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -99.0 92.13 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.707 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.56 149.31 23.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.23 -170.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.545 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -91.57 116.31 28.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -75.28 19.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -123.23 8.69 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' HG21 ' A' ' 50' ' ' VAL . 3.7 t -133.01 139.65 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.473 HD13 ' N ' ' A' ' 20' ' ' THR . 1.1 tp -83.35 -51.8 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -37.36 -30.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.523 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -84.84 -58.03 2.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' HD13 ' A' ' 35' ' ' LEU . 93.8 t -54.97 -32.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.585 0.814 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.7 mtp -76.71 -49.88 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.5 m -75.72 3.87 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 9.51 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.77 47.8 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG1' HG13 ' A' ' 8' ' ' ILE . 21.8 t -64.04 62.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.83 170.78 32.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -70.43 160.59 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.3 t70 64.92 5.22 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . . . -96.43 136.23 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 11.7 mt-10 -96.98 117.12 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 pt -107.78 175.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.5 m -154.1 158.82 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -140.14 131.22 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.848 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.1 m-85 -104.08 160.58 14.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.72 123.6 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -135.08 97.17 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -174.58 -147.53 6.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -96.01 -27.29 15.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -108.81 3.78 22.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -32.58 -67.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.47 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -53.42 -42.57 67.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.97 -37.41 82.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.39 -34.88 73.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -71.74 -32.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.47 -29.96 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.234 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.588 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.4 -42.82 29.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -53.78 -73.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.579 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -39.19 -34.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.572 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.6 t0 -69.49 -48.9 59.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 22' ' ' LEU . 94.0 t -64.46 -39.59 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 6' ' ' TYR . 40.0 mt -62.1 -51.4 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 m -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.2 mmtt -57.54 -41.36 80.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.1 mt-10 -82.93 -45.77 13.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.22 24.71 6.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 7.6 mt -75.89 -15.43 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.551 ' CA ' HG12 ' A' ' 9' ' ' ILE . 2.6 p -134.38 165.72 24.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' THR . 2.5 mmtt . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.471 0.177 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -138.07 133.15 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.613 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.547 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.572 HG13 ' CG1' ' A' ' 55' ' ' VAL . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.559 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.626 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD11 ' CG1' ' A' ' 80' ' ' VAL . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.833 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.692 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.551 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.572 ' CG1' HG13 ' A' ' 8' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.833 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.703 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.596 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.617 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG1' HD11 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 6' ' ' TYR . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.492 ' CE ' ' HB2' ' A' ' 66' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.503 ' OE2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -118.48 134.85 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.613 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.1 pt20 -120.8 -176.77 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -157.05 127.04 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.7 156.35 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.4 m-85 -155.24 178.81 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.61 137.23 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 HG13 ' CG1' ' A' ' 55' ' ' VAL . 39.0 mm -80.85 129.34 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.546 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.5 pt -123.95 -0.95 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.618 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -94.64 123.86 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -7.84 35.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' GLY . 92.6 m -87.64 -15.21 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.78 118.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.633 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.65 112.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.659 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -110.54 -167.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.33 -21.13 63.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.72 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -62.88 -65.08 2.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.72 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.4 -33.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.524 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -64.67 -57.81 8.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 110.42 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtp -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -61.56 -51.27 69.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.8 t -61.93 -40.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.0 tt0 -62.39 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.613 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.52 -24.17 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.2 -59.83 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.8 p -75.28 -42.3 55.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.76 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.0 m-85 -71.99 -89.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.4 t0 173.77 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.83 150.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 78.6 9.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.799 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.19 145.19 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.635 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -134.09 143.69 48.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.3 tt -92.8 148.88 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.701 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 26.4 tt0 -144.19 149.25 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.674 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.7 t80 -155.18 108.58 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.662 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.0 p30 51.47 49.27 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 2.81 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 8.8 tptt -98.53 90.06 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.92 149.3 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.546 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.29 -166.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.546 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 21.2 t-20 -95.92 115.0 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -76.1 19.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.24 5.4 10.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 4.2 t -132.8 133.9 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 20' ' ' THR . 1.1 tp -75.37 -52.95 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.484 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -37.42 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.29 -55.03 2.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.485 ' CG2' HD13 ' A' ' 35' ' ' LEU . 85.1 t -58.51 -32.33 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 mtp -74.75 -48.14 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 m -79.77 9.67 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CG ' HG11 ' A' ' 42' ' ' VAL . 5.7 mt -86.03 10.83 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.34 46.15 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.534 ' CG1' HG13 ' A' ' 8' ' ' ILE . 25.1 t -64.58 62.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.49 168.14 35.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.529 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.0 160.02 33.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.8 t70 64.44 5.52 2.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 56' ' ' GLY . . . -98.04 137.08 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 48.8 mt-10 -95.71 120.44 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.381 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 pt -110.64 174.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 36' ' ' GLU . 52.5 m -151.61 159.87 43.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -141.54 133.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.799 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 31.6 m-85 -107.96 163.31 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.9 127.22 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 10.4 t0 -137.09 89.68 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.7 -144.79 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 t -98.02 -31.47 12.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ASP . 56.7 m-20 -109.68 7.13 24.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.493 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.64 -60.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.482 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -54.56 -44.66 73.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.916 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.4 t0 -63.43 -33.46 75.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -69.84 -34.11 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.514 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.55 -34.49 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 27.1 mm-40 -70.78 -28.7 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.9 -40.03 41.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -57.83 -72.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.592 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -39.02 -33.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.607 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 21.2 t0 -69.37 -50.78 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 87.1 t -62.2 -39.45 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 6' ' ' TYR . 34.1 mt -61.37 -54.03 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 m -71.88 -29.6 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.362 1.039 . . . . 0.0 109.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 8.2 mtmt -56.3 -41.32 75.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -83.92 -43.96 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.79 24.51 6.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.618 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.0 mt -76.19 -14.97 60.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.33 166.4 23.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.471 0.177 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -138.07 133.15 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.613 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.547 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.572 HG13 ' CG1' ' A' ' 55' ' ' VAL . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.559 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.626 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD11 ' CG1' ' A' ' 80' ' ' VAL . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.833 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.653 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.692 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.692 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.551 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.572 ' CG1' HG13 ' A' ' 8' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.532 HG21 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.833 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.703 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.596 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.617 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG1' HD11 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 6' ' ' TYR . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.515 0.198 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -135.32 131.4 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.58 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.0 pt20 -120.5 179.89 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 3' ' ' GLN . 4.2 m120 -157.82 130.91 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.644 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.29 159.34 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 5' ' ' SER . 35.2 m-85 -154.49 178.99 9.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.33 135.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 39.4 mm -80.27 129.72 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.547 HG12 ' CA ' ' A' ' 87' ' ' THR . 14.3 pt -123.06 -1.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.6 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 58.9 t0 -92.67 126.58 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.497 ' HG2' ' CD ' ' A' ' 57' ' ' LYS . 17.8 mm-40 -69.03 -9.06 50.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 13' ' ' GLY . 78.3 m -88.77 -15.23 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.16 119.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.645 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -19.19 110.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.623 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.33 -166.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.2 -27.61 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.068 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.719 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -57.26 -65.0 1.98 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.03 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.79 -29.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.95 -58.13 3.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 0.0 110.422 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.7 mtp -56.42 -46.0 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.55 -49.86 74.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -62.52 -41.46 92.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 tt0 -62.05 -63.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -24.3 23.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.87 -59.03 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -74.78 -43.19 56.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.25 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.403 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 25' ' ' THR . 3.8 m-85 -73.25 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.7 t0 171.75 -54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -35.01 150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.63 77.94 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.808 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -78.98 144.84 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.651 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -135.61 143.06 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 36' ' ' GLU . 5.4 tt -91.72 151.84 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.697 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 24.4 tt0 -147.75 147.21 29.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.669 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.7 t80 -153.66 111.81 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.605 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.4 p30 49.21 50.14 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 77.73 2.41 81.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.669 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.2 tptt -97.95 91.16 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -88.68 149.33 23.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.71 -168.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.572 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 23.7 t-20 -93.87 115.34 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' HG ' ' CB ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -74.8 17.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -121.47 7.71 10.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.3 t -132.37 137.87 47.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -81.56 -53.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.497 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.54 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.54 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.54 -54.81 2.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 35' ' ' LEU . 90.4 t -58.43 -30.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.2 mtp -78.27 -50.12 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -74.97 4.8 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.64 8.56 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.635 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.9 48.04 0.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.525 ' CG1' HG13 ' A' ' 8' ' ' ILE . 37.1 t -61.84 63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -63.05 166.95 23.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.534 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.29 162.43 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 1.6 t70 64.19 5.61 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -98.35 138.33 35.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 6.0 mt-10 -96.77 119.59 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 37' ' ' TYR . 3.4 pt -110.0 173.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -150.68 158.53 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.66 133.89 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.808 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.2 m-85 -106.5 163.04 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.52 123.29 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -135.2 95.79 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -173.26 -146.49 5.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -96.76 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 0.801 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.15 3.11 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -31.71 -67.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.37 -44.0 68.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -61.3 -36.46 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -70.11 -38.03 75.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -68.5 -32.84 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.475 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 21.4 mm-40 -71.83 -30.05 65.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.18 -38.01 44.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.509 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -57.7 -72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -38.95 -33.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 26.1 t70 -69.35 -51.29 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.511 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 94.8 t -61.87 -38.7 81.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.546 HD11 ' CD2' ' A' ' 6' ' ' TYR . 35.6 mt -61.72 -54.14 46.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.1 m -71.82 -30.17 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 9.3 mtmt -55.66 -41.36 73.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -83.64 -44.25 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.54 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.6 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -76.68 -16.67 59.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.547 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.1 p -134.98 166.48 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.469 0.176 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.624 ' CD ' ' HA ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -114.82 127.68 55.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.62 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.8 pt20 -119.26 -179.9 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -153.19 127.84 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.88 155.91 17.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.8 m-85 -154.94 -179.52 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.09 138.33 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.552 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 39.8 mm -82.57 130.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG12 ' CA ' ' A' ' 87' ' ' THR . 12.4 pt -124.24 -1.73 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.2 t0 -93.77 124.45 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -7.97 35.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' ' O ' ' A' ' 13' ' ' GLY . 87.2 m -89.24 -14.47 35.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.632 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.15 118.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.632 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.75 109.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.57 -167.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.84 -26.7 67.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.66 -65.23 1.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.412 1.743 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.96 -29.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.468 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.57 -56.82 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.8 mtp -56.39 -49.68 73.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.82 -49.94 74.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.6 t -63.0 -42.65 97.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -62.0 -62.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.89 -25.23 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -67.38 -55.65 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' PHE . 4.6 p -75.26 -40.4 58.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -33.11 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.365 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.745 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 54.4 m-85 -75.78 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.8 t0 -179.07 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.97 151.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 78.62 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.85 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 3.0 mt -78.81 146.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -133.91 147.58 51.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.5 139.21 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.2 tt0 -136.51 150.3 48.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.705 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 10.8 t80 -156.82 108.66 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.63 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.7 p30 50.14 50.85 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.423 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 78.12 2.22 82.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.705 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 3.9 tptt -97.18 88.99 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.11 147.79 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.634 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -150.6 -166.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.541 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.04 116.97 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 ' CD2' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -77.92 20.46 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -120.99 5.41 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.21 146.01 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -85.69 -54.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.492 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 3.9 mtp -36.79 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -84.25 -55.33 2.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' HD11 ' A' ' 35' ' ' LEU . 96.3 t -57.48 -31.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.1 mtp -76.06 -47.61 23.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.0 m -75.55 5.32 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 7.1 mt -83.75 8.13 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 35.07 47.4 0.72 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.529 ' CG1' HG13 ' A' ' 8' ' ' ILE . 21.4 t -63.87 61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.1 168.01 34.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.02 159.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.15 5.72 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -99.05 138.38 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.7 mt-10 -96.5 122.73 39.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 37' ' ' TYR . 2.7 pt -111.4 174.3 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.604 ' O ' ' N ' ' A' ' 36' ' ' GLU . 61.0 m -152.06 156.4 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.353 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -138.43 135.21 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.85 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.5 m-85 -106.62 160.32 15.53 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.04 121.57 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 24.1 t0 -132.47 93.52 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -167.83 -147.61 5.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -95.01 -28.65 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 109.938 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 72' ' ' ASP . 85.3 m-20 -112.67 7.76 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -33.61 -50.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.624 ' HA ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -64.11 -44.45 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.78 -36.68 79.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.378 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.745 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.84 -35.41 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.493 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -72.53 -33.65 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.3 mm-40 -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.576 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.2 -41.19 35.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -53.58 -70.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.608 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.35 -34.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 19.6 t0 -70.23 -50.29 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.513 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 77.2 t -61.84 -38.86 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 6' ' ' TYR . 33.9 mt -61.38 -53.55 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 m -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 10.6 mtmt -56.04 -41.58 75.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.59 -44.2 16.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.26 23.76 6.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 6.1 mt -77.2 -16.88 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.5 p -134.48 166.05 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 64' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 70' ' ' GLU . 1.1 mm-40 -89.48 156.92 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 0.0 110.357 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 64' ' ' TYR . 6.3 pt20 -159.0 166.39 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -160.18 132.29 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -102.42 158.29 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.5 m-85 -155.24 177.66 11.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -128.73 136.64 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.567 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 33.4 mm -80.74 127.42 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.523 HG12 ' CA ' ' A' ' 87' ' ' THR . 16.5 pt -122.24 -0.19 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.681 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 43.4 t0 -94.24 124.8 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.53 -7.7 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.056 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 13' ' ' GLY . 89.6 m -89.87 -13.89 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.2 119.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.635 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.41 109.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.628 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.37 -167.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -54.79 -65.53 1.31 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.73 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -74.98 -50.29 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.5 -29.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.62 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mtp -56.17 -45.84 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.1 -49.99 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -63.38 -41.46 92.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -61.89 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.617 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.86 -22.94 16.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.74 -57.89 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 29' ' ' PHE . 97.6 p -75.68 -42.28 51.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 2.0 mmmm -33.19 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -73.49 -87.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 31' ' ' SER . 4.9 t0 172.61 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.568 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.29 157.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.6 84.21 5.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.734 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.09 144.22 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.12 147.06 50.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.682 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -98.2 136.94 37.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 23.4 tt0 -132.1 150.9 52.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 1.207 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.701 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 5.3 t80 -156.26 107.06 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.701 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.0 p30 52.92 50.8 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.7 4.02 80.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.9 tptt -100.32 92.21 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.45 149.92 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.682 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -150.35 -165.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.571 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -97.08 112.53 24.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -75.44 18.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -116.58 2.57 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -131.87 145.48 51.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -85.59 -51.38 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.451 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.81 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.69 -56.86 2.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.474 ' CG2' HD13 ' A' ' 35' ' ' LEU . 57.8 t -57.13 -28.97 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 mtp -79.3 -50.91 10.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 m -75.22 6.83 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' CD2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.68 10.94 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.7 48.06 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.533 ' CG1' HG13 ' A' ' 8' ' ' ILE . 12.4 t -62.96 62.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -64.49 167.51 28.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.38 161.29 31.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER 65.34 5.3 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -99.67 135.61 40.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 17.3 mt-10 -94.42 120.13 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.524 HG22 ' CD1' ' A' ' 37' ' ' TYR . 2.2 pt -110.42 168.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 36' ' ' GLU . 76.1 m -146.55 155.22 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -136.23 137.63 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.734 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 53.0 m-85 -113.46 163.16 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.634 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.29 128.08 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -135.2 90.02 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.41 -143.88 3.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m -97.43 -29.2 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 72' ' ' ASP . 79.5 m-20 -111.52 7.3 20.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.568 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.99 -64.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -53.34 -44.27 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -63.33 -35.4 80.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -70.26 -35.7 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.525 ' CD1' HD12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -73.31 -30.19 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.6 mm-40 -73.46 -28.83 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.32 -41.28 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -52.27 -69.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.559 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.16 -34.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.09 . . . . 0.0 109.932 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 24.8 t0 -69.71 -47.78 61.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 77' ' ' ILE . 85.5 t -64.59 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 6' ' ' TYR . 32.0 mt -62.24 -51.13 68.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -73.65 -29.86 62.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.11 -41.24 78.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.2 mt-10 -82.13 -45.74 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.24 24.79 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.681 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.0 mt -77.44 -15.28 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.523 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.2 p -134.91 165.91 24.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB2' ' CB ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.478 0.18 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.673 ' OE2' ' C ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -122.74 147.28 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.597 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 pt20 -134.11 -179.47 5.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.47 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.69 129.8 6.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.629 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.22 158.72 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.946 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.3 m-85 -153.48 179.33 8.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.35 135.99 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.563 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 41.3 mm -80.06 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG12 ' CA ' ' A' ' 87' ' ' THR . 13.0 pt -123.28 -2.99 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 49.6 t0 -92.94 122.88 35.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.366 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -66.89 -8.21 27.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 13' ' ' GLY . 87.1 m -87.83 -15.44 36.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.643 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 118.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -19.45 113.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 0.724 . . . . 0.0 109.193 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.664 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -112.39 -169.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.531 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -21.68 65.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.736 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -62.51 -65.91 1.86 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.736 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.98 -48.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.2 -29.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.462 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.13 -57.08 5.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.8 mtp -56.25 -44.53 79.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -62.64 -51.02 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.4 t -61.89 -40.59 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.4 tt0 -62.48 -63.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.43 -22.92 22.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.97 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -72.96 -43.64 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.18 -35.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.3 m-85 -70.72 -86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.6 t70 173.78 -60.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.86 158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 84.59 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.708 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.4 mp -80.44 144.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.706 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -131.58 146.7 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' HG22 ' A' ' 50' ' ' VAL . 5.4 tt -97.9 152.95 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.726 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.5 tt0 -147.47 149.18 32.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.679 ' O ' ' CG ' ' A' ' 38' ' ' ASN . 4.0 t80 -155.12 110.37 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.679 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.95 50.8 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.6 4.51 75.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.1 tptt -100.87 92.74 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.55 150.56 23.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.568 ' CG2' ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.35 -170.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.588 ' C ' ' H ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -93.59 112.46 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.518 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -72.91 20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.588 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -120.34 5.53 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -131.84 144.56 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -86.54 -53.53 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.22 -29.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.541 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.11 -54.55 2.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 35' ' ' LEU . 75.4 t -59.62 -29.09 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -78.97 -49.82 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -75.31 4.78 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.57 9.86 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.92 47.61 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG1' HG13 ' A' ' 8' ' ' ILE . 57.0 t -63.24 62.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.13 169.39 31.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 7.0 ttmt -70.93 162.44 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.7 t70 64.75 5.37 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -100.16 138.42 37.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 24.4 mt-10 -98.19 121.74 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pt -111.68 170.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.597 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.3 m -147.64 159.45 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.99 136.65 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.708 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.9 m-85 -110.03 164.08 12.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.62 127.59 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 10.1 t0 -138.56 89.32 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.71 -143.84 3.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -96.49 -32.92 12.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.769 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 72' ' ' ASP . 25.5 m-20 -108.95 8.33 26.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.673 ' C ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -30.47 -66.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.476 ' N ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -52.6 -45.12 66.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -61.14 -34.13 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -70.28 -37.04 74.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.519 HG13 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -69.56 -33.56 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 21.8 mm-40 -70.52 -29.55 66.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.572 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.22 -38.63 42.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -57.27 -70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.35 -33.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 28.4 t0 -69.38 -48.34 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 87.5 t -64.49 -38.42 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 6' ' ' TYR . 34.8 mt -63.23 -51.9 64.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -73.25 -29.58 62.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.565 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -57.22 -41.86 80.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.08 -45.09 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.67 23.73 6.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 4.8 mt -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.5 p -134.75 166.81 22.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 29.2 mttt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HB2' ' CA ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.466 0.174 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.483 ' OE1' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -120.31 129.18 53.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.566 1.166 . . . . 0.0 110.243 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.594 ' OE1' ' CE1' ' A' ' 64' ' ' TYR . 4.0 pt20 -116.7 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -154.17 126.95 8.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.99 155.67 17.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.6 m-85 -154.58 177.22 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -128.15 135.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.543 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 40.2 mm -80.07 128.58 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.532 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.1 pt -122.22 -1.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.585 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 61.7 t0 -92.5 123.29 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.66 -7.38 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' GLY . 88.2 m -89.84 -13.36 36.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 117.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.94 110.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 0.73 . . . . 0.0 109.364 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.634 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.66 -166.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.577 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -27.54 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 mtt180 -56.88 -65.38 1.72 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.98 -30.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.95 -55.04 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.61 -45.19 81.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 ' CG1' ' A' ' 80' ' ' VAL . 1.8 tp -61.51 -48.42 81.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 1.8 t -65.58 -42.1 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -60.57 -62.13 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.41 -35.42 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.12 -38.24 78.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.6 p -78.37 -46.53 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -35.46 -35.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 25' ' ' THR . 58.8 m-85 -77.75 -158.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -122.97 -42.78 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.53 151.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -90.23 79.6 6.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.831 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.1 mp -78.04 148.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -138.69 143.65 39.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.64 144.74 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.688 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.9 tt0 -141.45 147.64 38.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 9.3 t80 -154.76 110.28 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.636 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 18.5 p30 50.22 51.28 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 76.0 5.33 80.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.3 tptt -100.6 89.82 4.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.95 148.98 23.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.583 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -150.83 -166.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.527 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -94.62 116.94 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.527 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -77.11 18.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.387 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -121.57 7.35 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -133.94 137.07 44.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.474 HD13 ' N ' ' A' ' 20' ' ' THR . 1.1 tp -79.27 -51.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.472 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.3 -33.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -83.86 -54.33 3.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 35' ' ' LEU . 60.4 t -56.56 -33.79 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.4 mtp -74.38 -48.08 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 m -76.79 5.79 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 6.9 mt -83.4 8.7 12.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.86 46.69 0.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.536 ' CG1' HG13 ' A' ' 8' ' ' ILE . 44.3 t -65.07 62.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -68.04 169.19 39.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -71.12 159.86 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.1 t70 65.47 5.0 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -99.58 137.23 38.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 87.4 mt-10 -96.3 120.5 36.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.432 HG22 ' CD1' ' A' ' 37' ' ' TYR . 3.0 pt -108.56 174.93 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 36' ' ' GLU . 63.0 m -152.81 158.75 42.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -140.47 132.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.831 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -104.93 160.86 14.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.34 122.24 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.537 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 22.5 t0 -133.11 96.73 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -175.3 -147.91 6.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -95.88 -28.44 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.15 3.02 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -32.89 -66.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.483 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.49 -43.73 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.98 -36.67 80.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.601 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.2 -35.19 73.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.491 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -70.73 -33.91 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 26.5 mm-40 -71.07 -30.03 66.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.59 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.02 -40.28 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -56.86 -72.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.605 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -39.91 -33.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.069 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.597 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 21.3 t0 -68.67 -48.0 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' A' ' 22' ' ' LEU . 59.9 t -65.5 -39.93 86.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 6' ' ' TYR . 43.1 mt -62.77 -50.19 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -74.72 -29.88 61.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.597 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.6 mmtt -57.14 -41.24 78.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -84.48 -45.87 12.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.18 26.17 6.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 3.9 mt -78.27 -17.91 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.671 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 7.3 p -129.56 175.92 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.619 ' CG ' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -118.98 115.61 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.629 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.2 pt20 -119.73 177.88 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 4.2 m120 -155.06 130.15 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.53 157.76 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.997 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.4 m-85 -154.56 179.6 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -130.83 135.52 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.4 mm -79.83 129.97 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.545 HG12 ' CA ' ' A' ' 87' ' ' THR . 14.6 pt -124.18 -1.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.627 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.1 t0 -93.67 124.87 37.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.59 -9.18 48.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 81.5 m -87.54 -15.22 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.67 119.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -20.92 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.34 -167.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.91 -27.55 68.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.731 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -56.98 -65.55 1.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.95 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -41.14 -33.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.495 ' N ' HD13 ' A' ' 47' ' ' ILE . 2.8 m -66.86 -57.72 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtp -56.01 -46.83 78.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.29 -51.31 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -61.8 -41.73 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.1 tt0 -62.62 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.626 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.78 -23.4 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.03 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' PHE . 76.9 p -73.97 -41.89 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -31.94 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -72.0 -92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 5.1 t70 -179.03 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.77 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.034 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.04 82.38 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.809 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.8 mt -79.49 144.25 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.621 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.93 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.647 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.69 138.09 33.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.658 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -136.34 148.66 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.698 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 8.9 t80 -156.01 109.81 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.2 50.05 19.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.17 4.03 82.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.698 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tptm -98.9 90.69 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -89.05 148.62 23.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -151.03 -166.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.561 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.15 114.69 26.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD11 ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -76.36 21.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -120.41 4.78 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -132.55 146.19 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.055 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.495 HD13 ' N ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -86.96 -50.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.408 1.067 . . . . 0.0 109.394 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -36.62 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.543 ' O ' ' CD2' ' A' ' 53' ' ' LEU . . . -85.25 -59.76 1.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.499 HG22 ' CD1' ' A' ' 35' ' ' LEU . 54.2 t -52.83 -30.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.4 ' C ' ' H ' ' A' ' 53' ' ' LEU . 23.9 mtp -78.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 t -74.76 6.58 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.564 ' CD2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.61 10.28 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.606 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.26 48.36 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG1' HG13 ' A' ' 8' ' ' ILE . 24.5 t -63.28 62.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.72 167.71 33.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.577 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.14 162.53 29.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 64.12 6.53 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -102.14 137.49 40.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 20.1 mt-10 -96.24 122.44 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 37' ' ' TYR . 2.4 pt -110.65 172.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 36' ' ' GLU . 88.5 m -150.71 156.64 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.621 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -140.14 134.15 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.809 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.5 m-85 -105.24 165.05 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.592 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.92 128.76 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.619 ' HB2' ' CG ' ' A' ' 1' ' ' MET . 19.6 t0 -135.51 92.41 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.56 -152.59 7.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 t -94.34 -22.2 18.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 72' ' ' ASP . 13.6 m-20 -116.41 6.03 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -31.26 -51.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.227 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.572 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.58 -46.15 91.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.958 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -60.85 -34.52 74.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.608 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -70.36 -38.07 74.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.636 ' CD1' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -74.09 -33.94 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.539 ' OE1' ' O ' ' A' ' 71' ' ' SER . 1.3 mp0 -67.92 -30.69 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.548 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -78.47 -41.55 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.519 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -52.25 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.547 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.73 -34.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.578 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.3 t0 -70.21 -47.27 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.518 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 96.1 t -64.97 -38.64 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 6' ' ' TYR . 32.3 mt -62.69 -51.2 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -74.54 -29.55 61.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.1 mmtt -57.41 -41.95 81.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -81.45 -46.32 14.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.05 24.05 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.3 mt -77.59 -16.94 58.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.545 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.62 167.19 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mmtp . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.2 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.487 0.184 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.496 ' OE1' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -111.84 125.08 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.611 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 pt20 -121.35 179.83 4.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.3 131.92 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.1 159.49 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.933 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.6 m-85 -154.59 -178.84 7.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -128.88 143.95 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.509 HG13 ' CG1' ' A' ' 55' ' ' VAL . 31.2 mm -91.31 126.2 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 HG12 ' CA ' ' A' ' 87' ' ' THR . 31.5 pt -120.51 -2.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 59.5 t0 -91.66 122.74 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -68.59 -8.13 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 15' ' ' HIS . 90.9 m -88.29 -14.57 37.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.9 119.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.633 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.53 112.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.666 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -111.77 -166.43 1.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.586 1.179 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.96 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.2 mtm180 -58.08 -65.29 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.04 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.22 -27.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.622 1.201 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' N ' HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -73.95 -57.86 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.3 mtp -55.98 -47.57 77.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD13 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.32 -50.47 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 t -61.99 -41.86 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -61.9 -61.95 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.66 -25.17 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.484 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.47 -54.75 14.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.2 p -74.73 -41.39 60.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -33.58 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 51.2 m-85 -75.5 -94.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . 15.5 t70 175.93 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.64 150.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 78.65 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.819 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -79.01 145.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.625 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.71 145.39 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.9 tt -92.93 147.83 22.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 25.9 tt0 -144.02 148.73 35.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.666 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.1 t80 -155.77 110.64 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.4 p30 49.77 48.93 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.33 1.82 86.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -96.88 89.94 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.81 149.71 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.556 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -150.2 -168.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.54 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.26 116.76 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 ' CD2' HG21 ' A' ' 33' ' ' ILE . 1.1 tp -79.18 18.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 43' ' ' ASN . 2.9 mmmt -119.08 4.07 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -136.04 143.05 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.1 tp -81.05 -54.89 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.519 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.65 -28.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -86.04 -44.28 6.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.496 ' CG2' HD12 ' A' ' 35' ' ' LEU . 71.3 t -71.48 -33.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.8 mtp -75.33 -50.67 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -54.39 -17.32 2.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.56 154.26 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -98.02 53.94 1.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.542 ' CG1' ' HB ' ' A' ' 14' ' ' ILE . 4.8 t -65.94 60.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -73.95 166.47 54.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -64.64 155.46 33.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.751 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 65.45 4.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 56' ' ' GLY . . . -94.67 137.41 33.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 53.5 mt-10 -96.61 120.61 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pt -110.43 175.61 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.8 m -152.2 158.52 42.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.54 134.41 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.819 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 8.1 m-85 -105.8 161.47 14.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.587 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.01 122.85 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.498 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 23.3 t0 -132.85 98.68 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -177.85 -151.67 9.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -93.6 -21.63 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.076 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.92 1.12 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -31.58 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.496 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.15 -44.83 71.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -61.04 -35.8 77.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.65 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.1 -34.55 73.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.506 HG13 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -72.39 -32.94 44.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.19 -30.95 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -78.63 -41.51 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.512 HG22 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -54.05 -70.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.613 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -41.04 -33.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.8 t0 -70.41 -47.79 59.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 99.6 t -64.46 -39.06 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 6' ' ' TYR . 31.5 mt -63.62 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -73.92 -29.65 62.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.584 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.2 mmtt -57.01 -40.66 77.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.97 -43.87 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.9 26.24 6.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.568 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 3.0 mt -79.18 -18.84 52.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 18.4 p -128.75 173.77 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.539 0.209 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.492 ' OE2' ' OG ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -115.87 125.78 53.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 3.3 pt20 -119.92 178.47 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -153.86 127.98 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.16 156.33 17.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -154.91 -178.51 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -132.49 137.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.546 ' CG2' ' HA ' ' A' ' 57' ' ' LYS . 38.0 mm -81.22 129.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.535 HG12 ' CA ' ' A' ' 87' ' ' THR . 15.8 pt -122.67 -2.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.58 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -93.76 124.74 37.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -8.52 38.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.508 HG23 ' CD2' ' A' ' 15' ' ' HIS . 86.3 m -88.53 -15.16 35.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.63 119.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.626 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.43 110.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.681 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.24 -168.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.519 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -25.27 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -59.04 -65.6 1.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.73 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.81 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 15' ' ' HIS . . . -42.05 -29.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.468 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.81 -56.43 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.6 mtp -56.24 -46.58 79.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.83 -50.36 73.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' HB ' ' O ' ' A' ' 19' ' ' ALA . 2.3 t -62.57 -41.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.4 tt0 -61.66 -61.31 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.61 ' CG2' ' HB2' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -56.75 -32.5 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.73 -39.36 80.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 5.9 m -80.02 -44.2 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 1.5 mmmm -34.71 -36.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.631 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 68.8 m-85 -76.54 -157.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 31' ' ' SER . 2.7 t70 -118.12 -53.34 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.94 157.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.977 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.96 88.71 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.807 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -80.88 147.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.4 145.71 49.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.624 ' O ' ' N ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -95.24 139.78 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.651 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -137.0 149.11 47.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.694 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 10.1 t80 -154.9 106.83 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.648 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 50.82 50.6 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.4 1.35 86.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -96.42 88.56 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.97 147.4 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -150.72 -165.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.541 ' N ' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.8 115.4 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.517 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -76.18 18.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -119.2 5.32 11.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -132.99 143.69 49.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.07 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 48' ' ' MET . 1.0 OUTLIER -84.06 -53.46 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.485 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.91 -31.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.07 -54.73 2.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.517 ' CG2' HD13 ' A' ' 35' ' ' LEU . 97.6 t -57.15 -31.41 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 109.343 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.0 mtp -76.49 -48.41 19.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -74.85 4.08 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.566 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 7.6 mt -82.19 7.46 13.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.21 47.63 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.541 ' CG1' HG13 ' A' ' 8' ' ' ILE . 16.3 t -64.08 62.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.01 168.4 33.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.546 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.03 159.29 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.5 t70 64.43 4.86 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 56' ' ' GLY . . . -97.31 137.45 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 18.4 mt-10 -95.98 122.91 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' CD1' ' A' ' 37' ' ' TYR . 2.4 pt -112.37 172.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 36' ' ' GLU . 73.9 m -150.31 156.32 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -137.82 134.23 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.807 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.9 m-85 -106.8 159.31 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 1' ' ' MET . . . -154.86 122.02 5.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.476 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 21.1 t0 -130.95 96.79 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -170.26 -149.29 6.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 t -94.9 -22.74 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASP . 20.4 m-20 -117.72 6.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.606 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.3 pt-20 -34.16 -50.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.492 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -62.57 -44.34 96.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -63.84 -34.12 77.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.631 ' HA ' ' CE2' ' A' ' 29' ' ' PHE . . . -70.18 -33.8 72.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.522 HG12 ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -73.57 -33.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.5 mm-40 -71.23 -28.07 63.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.61 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -78.33 -39.68 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.85 -70.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -40.68 -34.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.577 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 25.4 t0 -68.4 -48.12 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 89.5 t -64.92 -38.68 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.58 HD12 ' CD2' ' A' ' 6' ' ' TYR . 34.2 mt -63.17 -50.82 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.73 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.1 mmtt -57.2 -41.9 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.22 -45.45 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.98 24.75 6.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 10' ' ' ASP . 5.6 mt -77.44 -15.97 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.535 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.0 p -134.81 165.92 24.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 1.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.685 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.6 pt20 -114.89 -177.6 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -155.84 128.2 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.74 156.57 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -155.48 179.19 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.2 137.03 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.7 mm -81.07 130.55 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.4 pt -124.89 -1.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.4 t0 -94.09 123.83 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 1.1 pp20? -68.49 -7.38 31.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 13' ' ' GLY . 91.3 m -88.7 -14.22 37.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.618 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.39 119.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -22.24 111.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.84 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.85 -166.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -27.82 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.84 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -56.4 -65.16 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.791 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.709 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.89 -28.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.499 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.83 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.412 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.4 mtp -56.0 -49.34 73.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.902 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -57.58 -51.14 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.743 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -61.97 -43.18 97.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.9 tt0 -62.07 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -54.72 -21.66 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 22' ' ' LEU . . . -69.04 -66.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.56 -40.38 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 13.6 mmtp -33.85 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.2 m-85 -72.07 -81.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.4 t70 169.57 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.613 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.3 157.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.969 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.86 84.75 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.4 mt -82.52 145.33 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -132.63 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.8 tt -95.19 148.46 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 35' ' ' LEU . 28.7 tt0 -143.86 147.4 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.813 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.1 t80 -154.07 110.02 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.64 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER 50.34 52.37 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.94 74.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -100.42 90.28 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.93 149.2 23.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.62 -169.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.784 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -93.35 116.64 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.893 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.25 22.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.743 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -122.32 4.71 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.65 139.57 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.709 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -79.93 -53.43 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.23 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.16 -52.47 3.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 35' ' ' LEU . 96.1 t -60.07 -31.39 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -76.02 -48.65 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -75.84 7.56 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.857 ' CD1' HD22 ' A' ' 35' ' ' LEU . 6.1 mt -84.35 6.83 21.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.62 47.09 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.722 HG13 HG21 ' A' ' 61' ' ' ILE . 21.2 t -63.88 62.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.21 167.21 32.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -71.03 160.37 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 2.6 t70 63.71 5.36 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.813 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.82 138.32 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.8 mt-10 -96.16 121.32 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.722 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -111.11 173.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -151.53 159.26 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.682 HG12 HG21 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -141.03 134.17 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.936 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.9 m-85 -106.4 161.78 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.02 125.91 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -135.71 90.95 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.78 -148.91 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -97.06 -18.73 19.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -114.1 -0.23 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.671 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -30.2 -67.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.495 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -44.44 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.1 t0 -63.42 -35.88 81.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.875 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.92 -34.55 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.733 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.8 -35.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.24 -28.75 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.8 -40.62 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.07 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.658 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.579 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 29.1 t0 -69.62 -47.82 62.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.902 HG12 HD12 ' A' ' 22' ' ' LEU . 89.3 t -64.99 -38.54 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.885 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.1 mt -63.3 -51.66 65.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -29.71 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -56.72 -41.99 78.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.34 -44.85 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.27 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.791 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.1 mt -76.75 -15.99 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.548 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.9 p -134.89 166.32 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.727 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -115.69 -178.42 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -156.08 128.35 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.85 156.17 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.8 m-85 -155.08 -179.6 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.05 137.67 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.832 HG13 HG12 ' A' ' 55' ' ' VAL . 30.0 mm -81.78 128.26 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.8 pt -122.81 -0.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.635 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 65.3 t0 -94.41 124.53 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -7.14 31.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.525 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.5 m -88.7 -15.14 35.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.634 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.84 119.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.634 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.47 110.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.26 -167.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.645 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.797 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -26.55 66.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.0 mtm180 -57.69 -65.31 1.89 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.742 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.69 -29.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.537 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -71.37 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 51.5 mtp -56.14 -46.12 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.89 -50.77 72.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 44' ' ' LEU . 2.7 t -62.09 -41.95 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 tt0 -61.75 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.632 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -22.36 15.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.44 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.26 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -73.1 -43.01 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.942 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.9 mmmm -32.42 -35.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.658 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.7 m-85 -70.02 -82.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER 170.12 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.586 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -37.12 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -92.84 85.03 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.2 mt -82.03 145.48 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.66 144.45 49.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.957 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -93.65 151.17 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.957 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.7 tt0 -145.5 148.02 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.727 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -154.33 110.19 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.673 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER 50.62 52.59 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.62 4.85 71.73 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.1 tptt -100.92 91.2 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.74 149.99 23.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.802 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.28 -171.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.769 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.873 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.33 18.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.67 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -116.76 2.07 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -134.41 145.02 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.742 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.47 -58.45 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -17.9 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.79 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -66.25 -67.78 1.89 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD13 ' A' ' 35' ' ' LEU . 94.8 t -41.04 -33.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.797 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -79.34 -50.8 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 t -78.86 9.56 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 HG11 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.49 10.82 11.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.627 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.21 46.28 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.832 HG12 HG13 ' A' ' 8' ' ' ILE . 11.5 t -62.35 62.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -62.76 166.8 22.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.74 ' HA ' HG22 ' A' ' 8' ' ' ILE . 6.1 ttpp -71.21 160.37 32.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.14 5.47 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.49 137.11 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 44.6 mt-10 -94.71 122.37 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.74 HG21 HG13 ' A' ' 55' ' ' VAL . 3.8 pt -112.96 174.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 36' ' ' GLU . 54.1 m -151.05 159.44 44.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.637 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -141.09 135.14 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.927 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 m-85 -108.02 160.91 15.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.56 124.4 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.378 1.049 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.13 89.02 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -161.41 -145.12 4.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.4 p -97.81 -25.75 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' ASP . 69.5 m-20 -114.91 6.68 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.586 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -32.69 -61.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.468 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -53.91 -45.4 71.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -63.84 -33.18 75.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -69.98 -34.55 73.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.785 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.52 -35.2 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.658 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -78.04 -41.15 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.32 -70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.659 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.89 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.5 t0 -69.58 -47.85 62.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 22' ' ' LEU . 92.9 t -65.05 -38.37 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.936 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.1 mt -63.01 -51.23 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.94 -30.12 62.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.06 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.576 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.7 mmtt -56.71 -40.73 76.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -83.54 -45.96 12.97 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.02 24.03 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.1 mt -76.16 -16.2 59.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.541 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.6 p -134.73 166.62 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.672 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.672 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.768 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -117.75 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 127.37 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.61 156.01 17.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.5 m-85 -155.11 177.32 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.24 136.5 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.742 HG13 HG12 ' A' ' 55' ' ' VAL . 34.7 mm -79.35 127.45 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -121.18 -1.32 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 86' ' ' LEU . 61.5 t0 -93.84 125.84 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -7.02 30.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 15' ' ' HIS . 71.0 m -90.03 -14.3 34.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 54.86 118.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.78 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.18 108.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.644 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.8 -167.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.809 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.91 -26.87 67.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 mtt85 -57.89 -65.02 2.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.838 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -75.06 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.83 -32.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.497 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -67.08 -56.08 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 26.1 mtp -56.24 -45.19 80.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.016 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.65 -49.26 77.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 t -64.78 -41.24 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.6 tt0 -61.72 -63.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.26 -32.66 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.355 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' PHE . 2.9 p -77.31 -42.85 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 10.0 mmtp -36.11 -36.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 73.5 m-85 -79.36 -157.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.0 t70 -122.82 -45.12 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.223 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.433 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.76 152.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.97 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -91.92 81.24 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -79.07 147.5 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -139.15 140.35 37.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.057 HD13 HG22 ' A' ' 50' ' ' VAL . 4.7 tt -87.92 152.11 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.3 tt0 -147.38 147.73 30.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.673 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -155.61 112.57 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.3 p30 50.9 48.42 23.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.46 82.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -99.0 92.13 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.56 149.31 23.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.23 -170.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -91.57 116.31 28.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -75.28 19.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -123.23 8.69 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.01 139.65 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.69 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.35 -51.8 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -37.36 -30.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.935 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.84 -58.03 2.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.057 HG22 HD13 ' A' ' 35' ' ' LEU . 93.8 t -54.97 -32.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.585 0.814 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.809 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.7 mtp -76.71 -49.88 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.5 m -75.72 3.87 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 9.51 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.77 47.8 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.742 HG12 HG13 ' A' ' 8' ' ' ILE . 21.8 t -64.04 62.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.83 170.78 32.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -70.43 160.59 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.3 t70 64.92 5.22 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.43 136.23 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 11.7 mt-10 -96.98 117.12 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 55' ' ' VAL . 3.5 pt -107.78 175.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.5 m -154.1 158.82 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.14 131.22 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.885 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.1 m-85 -104.08 160.58 14.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.72 123.6 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -135.08 97.17 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -174.58 -147.53 6.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -96.01 -27.29 15.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -108.81 3.78 22.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.58 -67.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.491 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -53.42 -42.57 67.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.97 -37.41 82.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.39 -34.88 73.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.74 -32.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.47 -29.96 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.234 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.4 -42.82 29.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -53.78 -73.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.693 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -39.19 -34.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.572 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.6 t0 -69.49 -48.9 59.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.724 ' CG1' HD12 ' A' ' 22' ' ' LEU . 94.0 t -64.46 -39.59 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HG ' HD11 ' A' ' 22' ' ' LEU . 40.0 mt -62.1 -51.4 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 m -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.2 mmtt -57.54 -41.36 80.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.1 mt-10 -82.93 -45.77 13.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.22 24.71 6.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.838 HD11 ' CB ' ' A' ' 18' ' ' PRO . 7.6 mt -75.89 -15.43 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.551 ' CA ' HG12 ' A' ' 9' ' ' ILE . 2.6 p -134.38 165.72 24.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.768 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.5 mmtt . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 13' ' ' GLY . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.851 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.851 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.864 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.1 pt20 -120.8 -176.77 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.515 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -157.05 127.04 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.7 156.35 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.4 m-85 -155.24 178.81 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.61 137.23 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.721 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.0 mm -80.85 129.34 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -123.95 -0.95 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -94.64 123.86 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -7.84 35.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.558 HG22 ' CD2' ' A' ' 15' ' ' HIS . 92.6 m -87.64 -15.21 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.78 118.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.754 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.65 112.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.659 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -110.54 -167.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.81 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -69.33 -21.13 63.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.72 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -62.88 -65.08 2.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.844 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.612 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.4 -33.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -64.67 -57.81 8.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 110.42 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtp -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.928 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -61.56 -51.27 69.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.755 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.8 t -61.93 -40.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.0 tt0 -62.39 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -54.52 -24.17 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.2 -59.83 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.8 p -75.28 -42.3 55.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.76 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.0 m-85 -71.99 -89.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.4 t0 173.77 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -37.83 150.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 78.6 9.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.19 145.19 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.635 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -134.09 143.69 48.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.3 tt -92.8 148.88 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.849 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.4 tt0 -144.19 149.25 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.792 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -155.18 108.58 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.684 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER 51.47 49.27 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 2.81 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 8.8 tptt -98.53 90.06 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.92 149.3 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.29 -166.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.792 ' N ' HG23 ' A' ' 42' ' ' VAL . 21.2 t-20 -95.92 115.0 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.839 HD23 ' CG2' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -76.1 19.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.24 5.4 10.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -132.8 133.9 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.612 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -75.37 -52.95 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.484 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -37.42 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.29 -55.03 2.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.829 HG22 ' CD1' ' A' ' 35' ' ' LEU . 85.1 t -58.51 -32.33 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.81 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.2 mtp -74.75 -48.14 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 m -79.77 9.67 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.777 HD13 HD22 ' A' ' 35' ' ' LEU . 5.7 mt -86.03 10.83 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.34 46.15 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HG13 ' A' ' 8' ' ' ILE . 25.1 t -64.58 62.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.49 168.14 35.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.0 160.02 33.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.8 t70 64.44 5.52 2.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.04 137.08 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 48.8 mt-10 -95.71 120.44 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.381 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.646 HG21 HG13 ' A' ' 55' ' ' VAL . 3.2 pt -110.64 174.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 36' ' ' GLU . 52.5 m -151.61 159.87 43.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -141.54 133.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.902 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.6 m-85 -107.96 163.31 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.9 127.22 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -137.09 89.68 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.7 -144.79 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 t -98.02 -31.47 12.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ASP . 56.7 m-20 -109.68 7.13 24.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -33.64 -60.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.508 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -54.56 -44.66 73.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.916 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.4 t0 -63.43 -33.46 75.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.799 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.84 -34.11 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.864 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.55 -34.49 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -70.78 -28.7 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -77.9 -40.03 41.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.83 -72.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.691 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.02 -33.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 21.2 t0 -69.37 -50.78 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.928 HG12 HD12 ' A' ' 22' ' ' LEU . 87.1 t -62.2 -39.45 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.906 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.1 mt -61.37 -54.03 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 m -71.88 -29.6 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.362 1.039 . . . . 0.0 109.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 8.2 mtmt -56.3 -41.32 75.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.92 -43.96 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.79 24.51 6.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -76.19 -14.97 60.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.33 166.4 23.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.773 ' C ' HD13 ' A' ' 9' ' ' ILE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 13' ' ' GLY . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.851 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.851 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.843 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.797 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.0 pt20 -120.5 179.89 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 3' ' ' GLN . 4.2 m120 -157.82 130.91 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.644 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.29 159.34 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 5' ' ' SER . 35.2 m-85 -154.49 178.99 9.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.33 135.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 HG12 ' A' ' 55' ' ' VAL . 39.4 mm -80.27 129.72 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.3 pt -123.06 -1.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.706 ' OD2' HD23 ' A' ' 86' ' ' LEU . 58.9 t0 -92.67 126.58 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' CD ' ' A' ' 57' ' ' LYS . 17.8 mm-40 -69.03 -9.06 50.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 78.3 m -88.77 -15.23 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.16 119.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.691 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.19 110.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.623 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.33 -166.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.2 -27.61 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.068 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.719 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -57.26 -65.0 1.98 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.803 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.0 Cg_endo -75.03 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.714 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.79 -29.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.492 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.95 -58.13 3.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 0.0 110.422 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.7 mtp -56.42 -46.0 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.55 -49.86 74.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.774 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -62.52 -41.46 92.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 tt0 -62.05 -63.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -24.3 23.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.87 -59.03 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -74.78 -43.19 56.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.25 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.403 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 25' ' ' THR . 3.8 m-85 -73.25 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.7 t0 171.75 -54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -35.01 150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.63 77.94 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -78.98 144.84 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.651 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -135.61 143.06 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.4 tt -91.72 151.84 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.967 ' N ' HD23 ' A' ' 35' ' ' LEU . 24.4 tt0 -147.75 147.21 29.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.747 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -153.66 111.81 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.68 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER 49.21 50.14 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 77.73 2.41 81.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.2 tptt -97.95 91.16 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -88.68 149.33 23.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.808 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.71 -168.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.808 ' N ' HG23 ' A' ' 42' ' ' VAL . 23.7 t-20 -93.87 115.34 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -74.8 17.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.774 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.47 7.71 10.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 50' ' ' VAL . 5.3 t -132.37 137.87 47.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.56 -53.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.497 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.54 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.94 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.54 -54.81 2.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 35' ' ' LEU . 90.4 t -58.43 -30.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.817 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.2 mtp -78.27 -50.12 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -74.97 4.8 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.64 8.56 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.635 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.9 48.04 0.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 8' ' ' ILE . 37.1 t -61.84 63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -63.05 166.95 23.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.29 162.43 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 1.6 t70 64.19 5.61 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.35 138.33 35.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 6.0 mt-10 -96.77 119.59 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.622 HG21 HG13 ' A' ' 55' ' ' VAL . 3.4 pt -110.0 173.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -150.68 158.53 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.626 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.66 133.89 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.916 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -106.5 163.04 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.52 123.29 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -135.2 95.79 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -173.26 -146.49 5.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -96.76 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 0.801 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.15 3.11 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.71 -67.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.37 -44.0 68.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -61.3 -36.46 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.832 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.11 -38.03 75.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.843 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -68.5 -32.84 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -71.83 -30.05 65.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.582 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.18 -38.01 44.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.7 -72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.685 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -38.95 -33.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 26.1 t70 -69.35 -51.29 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 22' ' ' LEU . 94.8 t -61.87 -38.7 81.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.904 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.6 mt -61.72 -54.14 46.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.1 m -71.82 -30.17 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 9.3 mtmt -55.66 -41.36 73.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.64 -44.25 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.54 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.803 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.68 -16.67 59.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.1 p -134.98 166.48 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.684 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.8 pt20 -119.26 -179.9 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -153.19 127.84 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.88 155.91 17.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.8 m-85 -154.94 -179.52 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.09 138.33 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.738 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.8 mm -82.57 130.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.781 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.4 pt -124.24 -1.73 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.2 t0 -93.77 124.45 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -7.97 35.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.562 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.2 m -89.24 -14.47 35.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.632 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.15 118.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.75 109.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.57 -167.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.813 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -26.7 67.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.66 -65.23 1.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.822 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.412 1.743 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.711 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.96 -29.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.486 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.57 -56.82 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.8 mtp -56.39 -49.68 73.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.928 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.82 -49.94 74.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.744 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -63.0 -42.65 97.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -62.0 -62.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.89 -25.23 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -67.38 -55.65 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' PHE . 4.6 p -75.26 -40.4 58.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -33.11 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.365 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 54.4 m-85 -75.78 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.8 t0 -179.07 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.97 151.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 78.62 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.907 HD11 ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt -78.81 146.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -133.91 147.58 51.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.006 HD13 HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.5 139.21 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.2 tt0 -136.51 150.3 48.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.832 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.8 t80 -156.82 108.66 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.639 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER 50.14 50.85 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.424 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 78.12 2.22 82.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 3.9 tptt -97.18 88.99 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.11 147.79 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.787 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.6 -166.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.787 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.04 116.97 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.896 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -77.92 20.46 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.744 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -120.99 5.41 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.21 146.01 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.711 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -85.69 -54.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.492 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 3.9 mtp -36.79 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -84.25 -55.33 2.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.966 HG22 HD12 ' A' ' 35' ' ' LEU . 96.3 t -57.48 -31.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.813 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.1 mtp -76.06 -47.61 23.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.0 m -75.55 5.32 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.006 HD12 HD13 ' A' ' 35' ' ' LEU . 7.1 mt -83.75 8.13 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 35.07 47.4 0.72 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 61' ' ' ILE . 21.4 t -63.87 61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.619 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.1 168.01 34.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.02 159.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.15 5.72 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.832 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -99.05 138.38 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.7 mt-10 -96.5 122.73 39.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 55' ' ' VAL . 2.7 pt -111.4 174.3 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.604 ' O ' ' N ' ' A' ' 36' ' ' GLU . 61.0 m -152.06 156.4 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.353 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.667 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.43 135.21 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.89 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -106.62 160.32 15.53 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.04 121.57 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -132.47 93.52 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -167.83 -147.61 5.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -95.01 -28.65 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 109.938 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 72' ' ' ASP . 85.3 m-20 -112.67 7.76 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -33.61 -50.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.609 ' HA ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -64.11 -44.45 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.78 -36.68 79.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.378 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.907 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.84 -35.41 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.741 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.53 -33.65 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.2 -41.19 35.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -53.58 -70.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.681 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -34.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 19.6 t0 -70.23 -50.29 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 22' ' ' LEU . 77.2 t -61.84 -38.86 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.928 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.9 mt -61.38 -53.55 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 m -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 10.6 mtmt -56.04 -41.58 75.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.59 -44.2 16.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.26 23.76 6.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.865 HD13 HG12 ' A' ' 14' ' ' ILE . 6.1 mt -77.2 -16.88 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.5 p -134.48 166.05 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.781 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 65' ' ' ALA . 1.1 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' TYR . 6.3 pt20 -159.0 166.39 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -160.18 132.29 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -102.42 158.29 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.5 m-85 -155.24 177.66 11.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -128.73 136.64 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 55' ' ' VAL . 33.4 mm -80.74 127.42 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.674 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.5 pt -122.24 -0.19 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 43.4 t0 -94.24 124.8 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.53 -7.7 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.056 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 15' ' ' HIS . 89.6 m -89.87 -13.89 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.2 119.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.41 109.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.629 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.37 -167.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.794 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -54.79 -65.53 1.31 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.815 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.98 -50.29 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.731 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.5 -29.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.472 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.62 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mtp -56.17 -45.84 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.954 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.1 -49.99 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 44' ' ' LEU . 2.5 t -63.38 -41.46 92.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -61.89 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.617 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.86 -22.94 16.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.74 -57.89 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 29' ' ' PHE . 97.6 p -75.68 -42.28 51.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 2.0 mmmm -33.19 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' HZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.5 m-85 -73.49 -87.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 31' ' ' SER . 4.9 t0 172.61 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.568 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.29 157.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.6 84.21 5.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.09 144.22 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.12 147.06 50.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.984 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -98.2 136.94 37.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.4 tt0 -132.1 150.9 52.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 1.207 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.821 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -156.26 107.06 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.701 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER 52.92 50.8 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.7 4.02 80.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.9 tptt -100.32 92.21 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.45 149.92 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.35 -165.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.816 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -97.08 112.53 24.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.897 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -75.44 18.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -116.58 2.57 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 4.6 t -131.87 145.48 51.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.731 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -85.59 -51.38 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.451 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.81 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 1.0 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.69 -56.86 2.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.984 HG22 HD12 ' A' ' 35' ' ' LEU . 57.8 t -57.13 -28.97 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.794 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.7 mtp -79.3 -50.91 10.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 m -75.22 6.83 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.68 10.94 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.7 48.06 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 8' ' ' ILE . 12.4 t -62.96 62.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -64.49 167.51 28.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.38 161.29 31.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER 65.34 5.3 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.67 135.61 40.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 17.3 mt-10 -94.42 120.13 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -110.42 168.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 36' ' ' GLU . 76.1 m -146.55 155.22 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -136.23 137.63 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.909 ' O ' HG23 ' A' ' 33' ' ' ILE . 53.0 m-85 -113.46 163.16 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.29 128.08 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -135.2 90.02 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.41 -143.88 3.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m -97.43 -29.2 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 72' ' ' ASP . 79.5 m-20 -111.52 7.3 20.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.568 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.99 -64.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -53.34 -44.27 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -63.33 -35.4 80.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.26 -35.7 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -73.31 -30.19 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -73.46 -28.83 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.32 -41.28 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.27 -69.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.665 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.16 -34.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.09 . . . . 0.0 109.932 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 24.8 t0 -69.71 -47.78 61.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 22' ' ' LEU . 85.5 t -64.59 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.954 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.0 mt -62.24 -51.13 68.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -73.65 -29.86 62.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.11 -41.24 78.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.2 mt-10 -82.13 -45.74 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.24 24.79 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -77.44 -15.28 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.523 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.2 p -134.91 165.91 24.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.674 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.837 ' OE2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.745 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -134.11 -179.47 5.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.69 129.8 6.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.629 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.22 158.72 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.946 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.3 m-85 -153.48 179.33 8.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.35 135.99 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.731 HG22 ' HA ' ' A' ' 57' ' ' LYS . 41.3 mm -80.06 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.785 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.0 pt -123.28 -2.99 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.738 ' OD2' HD23 ' A' ' 86' ' ' LEU . 49.6 t0 -92.94 122.88 35.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.366 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -66.89 -8.21 27.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.1 m -87.83 -15.44 36.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.643 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 118.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.732 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.45 113.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 0.724 . . . . 0.0 109.193 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.664 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -112.39 -169.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.531 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.882 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.14 -21.68 65.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.737 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -62.51 -65.91 1.86 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.846 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 -48.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.2 -29.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.13 -57.08 5.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.8 mtp -56.25 -44.53 79.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.889 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.64 -51.02 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.4 t -61.89 -40.59 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.4 tt0 -62.48 -63.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.43 -22.92 22.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.97 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -72.96 -43.64 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.18 -35.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.3 m-85 -70.72 -86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.6 t70 173.78 -60.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.86 158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 84.59 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.4 mp -80.44 144.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.706 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -131.58 146.7 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.065 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -97.9 152.95 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.944 ' N ' HD23 ' A' ' 35' ' ' LEU . 27.5 tt0 -147.47 149.18 32.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.734 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.12 110.37 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.679 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.95 50.8 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.6 4.51 75.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.1 tptt -100.87 92.74 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.55 150.56 23.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.791 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.35 -170.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.791 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.59 112.46 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -72.91 20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -120.34 5.53 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -131.84 144.56 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.54 -53.53 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.22 -29.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.968 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.11 -54.55 2.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.065 HG22 HD13 ' A' ' 35' ' ' LEU . 75.4 t -59.62 -29.09 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.882 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.0 mtp -78.97 -49.82 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -75.31 4.78 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.57 9.86 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.92 47.61 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 8' ' ' ILE . 57.0 t -63.24 62.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.13 169.39 31.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 7.0 ttmt -70.93 162.44 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.7 t70 64.75 5.37 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.16 138.42 37.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 24.4 mt-10 -98.19 121.74 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -111.68 170.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.597 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.3 m -147.64 159.45 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.672 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.99 136.65 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -110.03 164.08 12.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.837 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . . . -154.62 127.59 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.56 89.32 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.71 -143.84 3.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -96.49 -32.92 12.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.769 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 72' ' ' ASP . 25.5 m-20 -108.95 8.33 26.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.673 ' C ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -30.47 -66.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.476 ' N ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -52.6 -45.12 66.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -61.14 -34.13 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.749 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.28 -37.04 74.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.745 HD13 ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.56 -33.56 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -70.52 -29.55 66.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.22 -38.63 42.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.27 -70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.672 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -33.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 28.4 t0 -69.38 -48.34 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 22' ' ' LEU . 87.5 t -64.49 -38.42 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.889 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.8 mt -63.23 -51.9 64.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -73.25 -29.58 62.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.565 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -57.22 -41.86 80.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.08 -45.09 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.67 23.73 6.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.549 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.5 p -134.75 166.81 22.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.785 ' C ' HD13 ' A' ' 9' ' ' ILE . 29.2 mttt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.819 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 74' ' ' ILE . 4.0 pt20 -116.7 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -154.17 126.95 8.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.99 155.67 17.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.6 m-85 -154.58 177.22 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -128.15 135.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.2 mm -80.07 128.58 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.665 HD11 ' O ' ' A' ' 87' ' ' THR . 35.1 pt -122.22 -1.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.69 ' OD1' HD23 ' A' ' 86' ' ' LEU . 61.7 t0 -92.5 123.29 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.66 -7.38 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.2 m -89.84 -13.36 36.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 117.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.94 110.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 0.73 . . . . 0.0 109.364 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.634 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.66 -166.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.577 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.55 -27.54 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 mtt180 -56.88 -65.38 1.72 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.726 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.98 -30.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.495 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.95 -55.04 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.61 -45.19 81.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -61.51 -48.42 81.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -65.58 -42.1 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -60.57 -62.13 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.41 -35.42 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.12 -38.24 78.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.6 p -78.37 -46.53 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -35.46 -35.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 25' ' ' THR . 58.8 m-85 -77.75 -158.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -122.97 -42.78 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.53 151.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -90.23 79.6 6.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.1 mp -78.04 148.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.616 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -138.69 143.65 39.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.897 HD12 HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -91.64 144.74 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.783 ' H ' HD23 ' A' ' 35' ' ' LEU . 29.9 tt0 -141.45 147.64 38.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.85 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.3 t80 -154.76 110.28 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.636 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 18.5 p30 50.22 51.28 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 76.0 5.33 80.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.3 tptt -100.6 89.82 4.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.95 148.98 23.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.775 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.83 -166.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -94.62 116.94 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.832 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -77.11 18.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.387 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -121.57 7.35 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -133.94 137.07 44.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -79.27 -51.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.472 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.3 -33.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -83.86 -54.33 3.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.897 HG22 HD12 ' A' ' 35' ' ' LEU . 60.4 t -56.56 -33.79 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.741 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.4 mtp -74.38 -48.08 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 m -76.79 5.79 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 35' ' ' LEU . 6.9 mt -83.4 8.7 12.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.86 46.69 0.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 HG21 ' A' ' 61' ' ' ILE . 44.3 t -65.07 62.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -68.04 169.19 39.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.749 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -71.12 159.86 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.1 t70 65.47 5.0 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.58 137.23 38.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 87.4 mt-10 -96.3 120.5 36.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.595 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.56 174.93 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 m -152.81 158.75 42.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.47 132.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.872 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -104.93 160.86 14.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.34 122.24 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 22.5 t0 -133.11 96.73 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -175.3 -147.91 6.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -95.88 -28.44 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.15 3.02 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.89 -66.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.483 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.49 -43.73 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.98 -36.67 80.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.812 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.2 -35.19 73.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.819 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.73 -33.91 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.07 -30.03 66.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -78.02 -40.28 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.86 -72.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.696 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.91 -33.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.069 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.597 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 21.3 t0 -68.67 -48.0 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.737 ' HB ' HD12 ' A' ' 22' ' ' LEU . 59.9 t -65.5 -39.93 86.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.901 ' HG ' HD11 ' A' ' 22' ' ' LEU . 43.1 mt -62.77 -50.19 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -74.72 -29.88 61.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.597 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.6 mmtt -57.14 -41.24 78.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -84.48 -45.87 12.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.18 26.17 6.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 18' ' ' PRO . 3.9 mt -78.27 -17.91 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.706 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 7.3 p -129.56 175.92 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.636 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.768 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -119.73 177.88 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.585 ' OD1' HG21 ' A' ' 74' ' ' ILE . 4.2 m120 -155.06 130.15 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.53 157.76 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.997 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.4 m-85 -154.56 179.6 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -130.83 135.52 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.4 mm -79.83 129.97 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.6 pt -124.18 -1.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.1 t0 -93.67 124.87 37.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.59 -9.18 48.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 81.5 m -87.54 -15.22 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.67 119.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.767 HG12 HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -20.92 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.85 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.34 -167.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.772 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.91 -27.55 68.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.85 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -56.98 -65.55 1.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.14 -33.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' HD11 ' A' ' 47' ' ' ILE . 2.8 m -66.86 -57.72 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtp -56.01 -46.83 78.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.978 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.29 -51.31 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.727 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -61.8 -41.73 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.1 tt0 -62.62 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.626 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.78 -23.4 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.03 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' PHE . 76.9 p -73.97 -41.89 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -31.94 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -72.0 -92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 5.1 t70 -179.03 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.77 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.034 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.04 82.38 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.933 HD11 ' CB ' ' A' ' 73' ' ' ALA . 2.8 mt -79.49 144.25 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.93 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.69 138.09 33.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -136.34 148.66 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 8.9 t80 -156.01 109.81 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER 51.2 50.05 19.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.17 4.03 82.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.699 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tptm -98.9 90.69 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -89.05 148.62 23.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -151.03 -166.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.809 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -95.15 114.69 26.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -76.36 21.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.727 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -120.41 4.78 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.55 146.19 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.055 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.683 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -86.96 -50.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.408 1.067 . . . . 0.0 109.394 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -36.62 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.986 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.25 -59.76 1.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 35' ' ' LEU . 54.2 t -52.83 -30.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.772 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.9 mtp -78.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 t -74.76 6.58 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.61 10.28 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.606 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.26 48.36 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 8' ' ' ILE . 24.5 t -63.28 62.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.72 167.71 33.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.746 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.14 162.53 29.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 64.12 6.53 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -102.14 137.49 40.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 20.1 mt-10 -96.24 122.44 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.655 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -110.65 172.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 36' ' ' GLU . 88.5 m -150.71 156.64 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.697 ' CD1' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -140.14 134.15 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.907 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.5 m-85 -105.24 165.05 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.92 128.76 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -135.51 92.41 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.56 -152.59 7.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 t -94.34 -22.2 18.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 72' ' ' ASP . 13.6 m-20 -116.41 6.03 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -31.26 -51.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.227 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.572 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.58 -46.15 91.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.958 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -60.85 -34.52 74.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.933 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.36 -38.07 74.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -74.09 -33.94 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.539 ' OE1' ' O ' ' A' ' 71' ' ' SER . 1.3 mp0 -67.92 -30.69 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.47 -41.55 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.25 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.667 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.73 -34.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.578 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.3 t0 -70.21 -47.27 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG12 HD12 ' A' ' 22' ' ' LEU . 96.1 t -64.97 -38.64 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.978 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.3 mt -62.69 -51.2 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -74.54 -29.55 61.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.1 mmtt -57.41 -41.95 81.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -81.45 -46.32 14.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.05 24.05 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.3 mt -77.59 -16.94 58.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.545 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.62 167.19 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.749 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.6 mmtp . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.2 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.713 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -121.35 179.83 4.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.46 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.3 131.92 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.1 159.49 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.933 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.6 m-85 -154.59 -178.84 7.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -128.88 143.95 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 57' ' ' LYS . 31.2 mm -91.31 126.2 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.8 HG21 ' HD3' ' A' ' 88' ' ' LYS . 31.5 pt -120.51 -2.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.704 ' OD1' HD23 ' A' ' 86' ' ' LEU . 59.5 t0 -91.66 122.74 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -68.59 -8.13 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.9 m -88.29 -14.57 37.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.9 119.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.65 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -20.53 112.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.666 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -111.77 -166.43 1.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.586 1.179 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.24 -25.96 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.2 mtm180 -58.08 -65.29 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.04 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.738 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.22 -27.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.622 1.201 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.525 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -73.95 -57.86 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.3 mtp -55.98 -47.57 77.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.887 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.32 -50.47 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.684 HG22 HD12 ' A' ' 44' ' ' LEU . 3.4 t -61.99 -41.86 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -61.9 -61.95 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.66 -25.17 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.47 -54.75 14.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.2 p -74.73 -41.39 60.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -33.58 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 51.2 m-85 -75.5 -94.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . 15.5 t70 175.93 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -38.64 150.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 78.65 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -79.01 145.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -136.71 145.39 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.9 tt -92.93 147.83 22.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.903 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.9 tt0 -144.02 148.73 35.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.1 t80 -155.77 110.64 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.683 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER 49.77 48.93 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.33 1.82 86.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -96.88 89.94 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.81 149.71 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.77 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.2 -168.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.77 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -95.26 116.76 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 HG22 ' A' ' 33' ' ' ILE . 1.1 tp -79.18 18.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.661 ' HA ' HG13 ' A' ' 23' ' ' VAL . 2.9 mmmt -119.08 4.07 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -136.04 143.05 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.738 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.05 -54.89 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.519 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.65 -28.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -86.04 -44.28 6.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 35' ' ' LEU . 71.3 t -71.48 -33.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.846 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.8 mtp -75.33 -50.67 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -54.39 -17.32 2.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -76.56 154.26 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -98.02 53.94 1.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 61' ' ' ILE . 4.8 t -65.94 60.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.754 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -73.95 166.47 54.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.64 155.46 33.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.751 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 65.45 4.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -94.67 137.41 33.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 53.5 mt-10 -96.61 120.61 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 55' ' ' VAL . 2.5 pt -110.43 175.61 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.8 m -152.2 158.52 42.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.65 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.54 134.41 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.883 ' O ' HG23 ' A' ' 33' ' ' ILE . 8.1 m-85 -105.8 161.47 14.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.01 122.85 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.85 98.68 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -177.85 -151.67 9.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -93.6 -21.63 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.076 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.92 1.12 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.58 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.15 -44.83 71.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -61.04 -35.8 77.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.1 -34.55 73.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.713 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.39 -32.94 44.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.19 -30.95 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.648 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.63 -41.51 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -54.05 -70.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.04 -33.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.8 t0 -70.41 -47.79 59.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.871 HG12 HD12 ' A' ' 22' ' ' LEU . 99.6 t -64.46 -39.06 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.887 ' HG ' HD11 ' A' ' 22' ' ' LEU . 31.5 mt -63.62 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -73.92 -29.65 62.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.584 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.2 mmtt -57.01 -40.66 77.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.97 -43.87 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.9 26.24 6.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.704 HD23 ' OD1' ' A' ' 10' ' ' ASP . 3.0 mt -79.18 -18.84 52.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 18.4 p -128.75 173.77 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 9' ' ' ILE . 27.8 mmtt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.738 ' CG ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -119.92 178.47 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -153.86 127.98 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.16 156.33 17.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -154.91 -178.51 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -132.49 137.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.757 HG13 HG12 ' A' ' 55' ' ' VAL . 38.0 mm -81.22 129.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.747 HD13 ' C ' ' A' ' 88' ' ' LYS . 15.8 pt -122.67 -2.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.577 ' OD1' HD23 ' A' ' 86' ' ' LEU . 63.0 t0 -93.76 124.74 37.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -8.52 38.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' GLY . 86.3 m -88.53 -15.16 35.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.63 119.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -21.43 110.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.882 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.24 -168.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.519 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.15 -25.27 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.882 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -59.04 -65.6 1.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.834 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 -48.81 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.746 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.05 -29.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.81 -56.43 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.6 mtp -56.24 -46.58 79.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -60.83 -50.36 73.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.631 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -62.57 -41.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.4 tt0 -61.66 -61.31 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.61 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.75 -32.5 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.73 -39.36 80.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 5.9 m -80.02 -44.2 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 1.5 mmmm -34.71 -36.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 68.8 m-85 -76.54 -157.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 31' ' ' SER . 2.7 t70 -118.12 -53.34 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.94 157.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.977 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.96 88.71 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -80.88 147.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.4 145.71 49.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.24 139.78 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -137.0 149.11 47.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.836 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.1 t80 -154.9 106.83 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.648 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER 50.82 50.6 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.4 1.35 86.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -96.42 88.56 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.97 147.4 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.72 -165.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.789 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.8 115.4 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.852 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -76.18 18.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -119.2 5.32 11.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.0 t -132.99 143.69 49.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -84.06 -53.46 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.485 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.91 -31.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.07 -54.73 2.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 35' ' ' LEU . 97.6 t -57.15 -31.41 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 109.343 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.851 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.0 mtp -76.49 -48.41 19.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -74.85 4.08 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.952 HD12 HD13 ' A' ' 35' ' ' LEU . 7.6 mt -82.19 7.46 13.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.21 47.63 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.757 HG12 HG13 ' A' ' 8' ' ' ILE . 16.3 t -64.08 62.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.01 168.4 33.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.739 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.03 159.29 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.5 t70 64.43 4.86 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.836 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -97.31 137.45 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 18.4 mt-10 -95.98 122.91 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -112.37 172.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 36' ' ' GLU . 73.9 m -150.31 156.32 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -137.82 134.23 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.858 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -106.8 159.31 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -154.86 122.02 5.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -130.95 96.79 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -170.26 -149.29 6.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 t -94.9 -22.74 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASP . 20.4 m-20 -117.72 6.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.606 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.3 pt-20 -34.16 -50.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.481 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -62.57 -44.34 96.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -63.84 -34.12 77.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.18 -33.8 72.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -73.57 -33.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.23 -28.07 63.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.33 -39.68 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.85 -70.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.67 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.68 -34.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.577 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 25.4 t0 -68.4 -48.12 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 22' ' ' LEU . 89.5 t -64.92 -38.68 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.827 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.2 mt -63.17 -50.82 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.73 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.1 mmtt -57.2 -41.9 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.22 -45.45 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.98 24.75 6.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 14' ' ' ILE . 5.6 mt -77.44 -15.97 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.534 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.0 p -134.81 165.92 24.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.747 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.518 0.199 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -117.34 128.78 55.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.685 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.6 pt20 -114.89 -177.6 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -155.84 128.2 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.74 156.57 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -155.48 179.19 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.2 137.03 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.7 mm -81.07 130.55 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.4 pt -124.89 -1.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.4 t0 -94.09 123.83 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 1.1 pp20? -68.49 -7.38 31.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 13' ' ' GLY . 91.3 m -88.7 -14.22 37.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.618 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.39 119.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -22.24 111.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.84 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.85 -166.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -27.82 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.84 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -56.4 -65.16 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.791 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.709 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.89 -28.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.499 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.83 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.412 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.4 mtp -56.0 -49.34 73.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.902 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -57.58 -51.14 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.743 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -61.97 -43.18 97.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.9 tt0 -62.07 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -54.72 -21.66 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 22' ' ' LEU . . . -69.04 -66.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.56 -40.38 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 13.6 mmtp -33.85 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.2 m-85 -72.07 -81.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.4 t70 169.57 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.613 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.3 157.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.969 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.86 84.75 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.4 mt -82.52 145.33 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -132.63 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.8 tt -95.19 148.46 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 35' ' ' LEU . 28.7 tt0 -143.86 147.4 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.813 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.1 t80 -154.07 110.02 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.64 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER 50.34 52.37 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.94 74.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -100.42 90.28 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.93 149.2 23.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.62 -169.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.784 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -93.35 116.64 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.893 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.25 22.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.743 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -122.32 4.71 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.65 139.57 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.709 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -79.93 -53.43 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.23 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.16 -52.47 3.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 35' ' ' LEU . 96.1 t -60.07 -31.39 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -76.02 -48.65 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -75.84 7.56 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.857 ' CD1' HD22 ' A' ' 35' ' ' LEU . 6.1 mt -84.35 6.83 21.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.62 47.09 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.722 HG13 HG21 ' A' ' 61' ' ' ILE . 21.2 t -63.88 62.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.21 167.21 32.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -71.03 160.37 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 2.6 t70 63.71 5.36 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.813 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.82 138.32 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.8 mt-10 -96.16 121.32 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.722 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -111.11 173.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -151.53 159.26 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.682 HG12 HG21 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -141.03 134.17 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.936 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.9 m-85 -106.4 161.78 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.02 125.91 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -135.71 90.95 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.78 -148.91 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -97.06 -18.73 19.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -114.1 -0.23 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.671 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -30.2 -67.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.495 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -44.44 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.1 t0 -63.42 -35.88 81.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.875 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.92 -34.55 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.733 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.8 -35.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -70.24 -28.75 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.8 -40.62 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.07 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.658 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.579 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 29.1 t0 -69.62 -47.82 62.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.902 HG12 HD12 ' A' ' 22' ' ' LEU . 89.3 t -64.99 -38.54 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.885 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.1 mt -63.3 -51.66 65.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -29.71 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -56.72 -41.99 78.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.34 -44.85 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.27 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.791 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.1 mt -76.75 -15.99 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.548 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.9 p -134.89 166.32 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.727 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 66' ' ' ASP . 4.1 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.552 0.215 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -117.2 129.74 56.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -115.69 -178.42 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -156.08 128.35 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.85 156.17 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.8 m-85 -155.08 -179.6 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.05 137.67 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.832 HG13 HG12 ' A' ' 55' ' ' VAL . 30.0 mm -81.78 128.26 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.8 pt -122.81 -0.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.635 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 65.3 t0 -94.41 124.53 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -7.14 31.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.525 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.5 m -88.7 -15.14 35.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.634 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.84 119.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.634 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.47 110.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.26 -167.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.645 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.797 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -26.55 66.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.0 mtm180 -57.69 -65.31 1.89 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.742 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.69 -29.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.537 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -71.37 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 51.5 mtp -56.14 -46.12 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.89 -50.77 72.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 44' ' ' LEU . 2.7 t -62.09 -41.95 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 tt0 -61.75 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.632 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -22.36 15.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.44 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.26 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -73.1 -43.01 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.942 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.9 mmmm -32.42 -35.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.658 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.7 m-85 -70.02 -82.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER 170.12 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.586 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -37.12 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -92.84 85.03 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.2 mt -82.03 145.48 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.66 144.45 49.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.957 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -93.65 151.17 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.957 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.7 tt0 -145.5 148.02 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.727 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -154.33 110.19 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.673 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER 50.62 52.59 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.62 4.85 71.73 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.1 tptt -100.92 91.2 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.74 149.99 23.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.802 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.28 -171.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.769 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.873 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.33 18.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.67 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -116.76 2.07 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -134.41 145.02 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.742 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.47 -58.45 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -17.9 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.79 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -66.25 -67.78 1.89 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD13 ' A' ' 35' ' ' LEU . 94.8 t -41.04 -33.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.797 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -79.34 -50.8 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 t -78.86 9.56 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 HG11 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.49 10.82 11.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.627 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.21 46.28 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.832 HG12 HG13 ' A' ' 8' ' ' ILE . 11.5 t -62.35 62.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -62.76 166.8 22.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.74 ' HA ' HG22 ' A' ' 8' ' ' ILE . 6.1 ttpp -71.21 160.37 32.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.14 5.47 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.49 137.11 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 44.6 mt-10 -94.71 122.37 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.74 HG21 HG13 ' A' ' 55' ' ' VAL . 3.8 pt -112.96 174.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 36' ' ' GLU . 54.1 m -151.05 159.44 44.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.637 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -141.09 135.14 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.927 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 m-85 -108.02 160.91 15.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.56 124.4 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.378 1.049 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 22.8 t0 -136.13 89.02 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -161.41 -145.12 4.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.4 p -97.81 -25.75 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' ASP . 69.5 m-20 -114.91 6.68 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.586 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -32.69 -61.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.468 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -53.91 -45.4 71.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -63.84 -33.18 75.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -69.98 -34.55 73.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.785 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.52 -35.2 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.658 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -78.04 -41.15 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.32 -70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.659 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.89 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.5 t0 -69.58 -47.85 62.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 22' ' ' LEU . 92.9 t -65.05 -38.37 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.936 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.1 mt -63.01 -51.23 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.94 -30.12 62.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.06 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.576 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.7 mmtt -56.71 -40.73 76.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -83.54 -45.96 12.97 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.02 24.03 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.1 mt -76.16 -16.2 59.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.541 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.6 p -134.73 166.62 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -148.82 135.82 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.672 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -148.82 135.82 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.672 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.48 0.181 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.768 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -113.86 131.04 56.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -117.75 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 127.37 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.61 156.01 17.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.5 m-85 -155.11 177.32 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.24 136.5 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.742 HG13 HG12 ' A' ' 55' ' ' VAL . 34.7 mm -79.35 127.45 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -121.18 -1.32 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 86' ' ' LEU . 61.5 t0 -93.84 125.84 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -7.02 30.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 15' ' ' HIS . 71.0 m -90.03 -14.3 34.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 54.86 118.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.78 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.18 108.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.644 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.8 -167.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.809 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.91 -26.87 67.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 mtt85 -57.89 -65.02 2.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.838 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -75.06 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.83 -32.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.497 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -67.08 -56.08 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 26.1 mtp -56.24 -45.19 80.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.016 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.65 -49.26 77.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 t -64.78 -41.24 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.6 tt0 -61.72 -63.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.26 -32.66 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.355 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' PHE . 2.9 p -77.31 -42.85 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 10.0 mmtp -36.11 -36.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 73.5 m-85 -79.36 -157.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.0 t70 -122.82 -45.12 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.223 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.433 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.76 152.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.97 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -91.92 81.24 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -79.07 147.5 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -139.15 140.35 37.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.057 HD13 HG22 ' A' ' 50' ' ' VAL . 4.7 tt -87.92 152.11 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.3 tt0 -147.38 147.73 30.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.673 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -155.61 112.57 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.3 p30 50.9 48.42 23.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.46 82.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -99.0 92.13 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.56 149.31 23.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.23 -170.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -91.57 116.31 28.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -75.28 19.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -123.23 8.69 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.01 139.65 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.69 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.35 -51.8 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -37.36 -30.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.935 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.84 -58.03 2.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.057 HG22 HD13 ' A' ' 35' ' ' LEU . 93.8 t -54.97 -32.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.585 0.814 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.809 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.7 mtp -76.71 -49.88 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.5 m -75.72 3.87 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 9.51 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.77 47.8 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.742 HG12 HG13 ' A' ' 8' ' ' ILE . 21.8 t -64.04 62.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.83 170.78 32.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -70.43 160.59 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.3 t70 64.92 5.22 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.43 136.23 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 11.7 mt-10 -96.98 117.12 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 55' ' ' VAL . 3.5 pt -107.78 175.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.5 m -154.1 158.82 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.14 131.22 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.885 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.1 m-85 -104.08 160.58 14.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.72 123.6 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -135.08 97.17 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -174.58 -147.53 6.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -96.01 -27.29 15.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -108.81 3.78 22.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.58 -67.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.491 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -53.42 -42.57 67.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.97 -37.41 82.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.39 -34.88 73.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.74 -32.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.47 -29.96 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.234 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.4 -42.82 29.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -53.78 -73.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.693 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -39.19 -34.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.572 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.6 t0 -69.49 -48.9 59.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.724 ' CG1' HD12 ' A' ' 22' ' ' LEU . 94.0 t -64.46 -39.59 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HG ' HD11 ' A' ' 22' ' ' LEU . 40.0 mt -62.1 -51.4 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 m -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.2 mmtt -57.54 -41.36 80.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.1 mt-10 -82.93 -45.77 13.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.22 24.71 6.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.838 HD11 ' CB ' ' A' ' 18' ' ' PRO . 7.6 mt -75.89 -15.43 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.551 ' CA ' HG12 ' A' ' 9' ' ' ILE . 2.6 p -134.38 165.72 24.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.768 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.5 mmtt . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.471 0.177 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.07 133.15 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 13' ' ' GLY . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.851 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.851 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.493 ' CE ' ' HB2' ' A' ' 66' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.864 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -118.48 134.85 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.1 pt20 -120.8 -176.77 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.515 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -157.05 127.04 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.7 156.35 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.4 m-85 -155.24 178.81 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.61 137.23 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.721 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.0 mm -80.85 129.34 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -123.95 -0.95 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -94.64 123.86 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -7.84 35.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.558 HG22 ' CD2' ' A' ' 15' ' ' HIS . 92.6 m -87.64 -15.21 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.78 118.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.754 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.65 112.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.659 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -110.54 -167.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.81 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -69.33 -21.13 63.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.72 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -62.88 -65.08 2.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.844 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.4 -33.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -64.67 -57.81 8.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 110.42 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtp -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.928 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -61.56 -51.27 69.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.755 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.8 t -61.93 -40.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.0 tt0 -62.39 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -54.52 -24.17 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.2 -59.83 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.8 p -75.28 -42.3 55.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.76 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.0 m-85 -71.99 -89.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.4 t0 173.77 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -37.83 150.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 78.6 9.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.19 145.19 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.635 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -134.09 143.69 48.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.3 tt -92.8 148.88 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.849 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.4 tt0 -144.19 149.25 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.792 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -155.18 108.58 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.684 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER 51.47 49.27 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 2.81 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 8.8 tptt -98.53 90.06 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.92 149.3 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.29 -166.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.792 ' N ' HG23 ' A' ' 42' ' ' VAL . 21.2 t-20 -95.92 115.0 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.839 HD23 ' CG2' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -76.1 19.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.24 5.4 10.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -132.8 133.9 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.612 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -75.37 -52.95 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.484 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -37.42 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.29 -55.03 2.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.829 HG22 ' CD1' ' A' ' 35' ' ' LEU . 85.1 t -58.51 -32.33 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.81 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.2 mtp -74.75 -48.14 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 m -79.77 9.67 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.777 HD13 HD22 ' A' ' 35' ' ' LEU . 5.7 mt -86.03 10.83 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.34 46.15 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HG13 ' A' ' 8' ' ' ILE . 25.1 t -64.58 62.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.49 168.14 35.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.0 160.02 33.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.8 t70 64.44 5.52 2.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.04 137.08 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 48.8 mt-10 -95.71 120.44 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.381 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.646 HG21 HG13 ' A' ' 55' ' ' VAL . 3.2 pt -110.64 174.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 36' ' ' GLU . 52.5 m -151.61 159.87 43.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -141.54 133.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.902 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.6 m-85 -107.96 163.31 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.9 127.22 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 10.4 t0 -137.09 89.68 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.7 -144.79 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 t -98.02 -31.47 12.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ASP . 56.7 m-20 -109.68 7.13 24.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -33.64 -60.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.508 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -54.56 -44.66 73.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.916 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.4 t0 -63.43 -33.46 75.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.799 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.84 -34.11 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.864 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.55 -34.49 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -70.78 -28.7 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -77.9 -40.03 41.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.83 -72.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.691 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.02 -33.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 21.2 t0 -69.37 -50.78 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.928 HG12 HD12 ' A' ' 22' ' ' LEU . 87.1 t -62.2 -39.45 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.906 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.1 mt -61.37 -54.03 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 m -71.88 -29.6 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.362 1.039 . . . . 0.0 109.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 8.2 mtmt -56.3 -41.32 75.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.92 -43.96 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.79 24.51 6.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -76.19 -14.97 60.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.33 166.4 23.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.773 ' C ' HD13 ' A' ' 9' ' ' ILE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.471 0.177 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.07 133.15 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 13' ' ' GLY . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.851 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.851 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.515 0.198 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.843 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -135.32 131.4 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.797 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.0 pt20 -120.5 179.89 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 3' ' ' GLN . 4.2 m120 -157.82 130.91 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.644 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.29 159.34 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 5' ' ' SER . 35.2 m-85 -154.49 178.99 9.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.33 135.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 HG12 ' A' ' 55' ' ' VAL . 39.4 mm -80.27 129.72 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.3 pt -123.06 -1.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.706 ' OD2' HD23 ' A' ' 86' ' ' LEU . 58.9 t0 -92.67 126.58 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' CD ' ' A' ' 57' ' ' LYS . 17.8 mm-40 -69.03 -9.06 50.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 78.3 m -88.77 -15.23 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.16 119.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.691 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.19 110.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.623 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.33 -166.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.2 -27.61 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.068 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.719 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -57.26 -65.0 1.98 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.803 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.0 Cg_endo -75.03 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.714 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.79 -29.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.492 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.95 -58.13 3.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 0.0 110.422 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.7 mtp -56.42 -46.0 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.55 -49.86 74.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.774 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -62.52 -41.46 92.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 tt0 -62.05 -63.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -24.3 23.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.87 -59.03 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -74.78 -43.19 56.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.25 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.403 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 25' ' ' THR . 3.8 m-85 -73.25 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.7 t0 171.75 -54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -35.01 150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.63 77.94 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -78.98 144.84 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.651 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -135.61 143.06 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.4 tt -91.72 151.84 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.967 ' N ' HD23 ' A' ' 35' ' ' LEU . 24.4 tt0 -147.75 147.21 29.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.747 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -153.66 111.81 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.68 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER 49.21 50.14 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 77.73 2.41 81.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.2 tptt -97.95 91.16 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -88.68 149.33 23.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.808 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.71 -168.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.808 ' N ' HG23 ' A' ' 42' ' ' VAL . 23.7 t-20 -93.87 115.34 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -74.8 17.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.774 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.47 7.71 10.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 50' ' ' VAL . 5.3 t -132.37 137.87 47.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.56 -53.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.497 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.54 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.94 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.54 -54.81 2.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 35' ' ' LEU . 90.4 t -58.43 -30.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.817 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.2 mtp -78.27 -50.12 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -74.97 4.8 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.64 8.56 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.635 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.9 48.04 0.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 8' ' ' ILE . 37.1 t -61.84 63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -63.05 166.95 23.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.29 162.43 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 1.6 t70 64.19 5.61 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.35 138.33 35.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 6.0 mt-10 -96.77 119.59 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.622 HG21 HG13 ' A' ' 55' ' ' VAL . 3.4 pt -110.0 173.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -150.68 158.53 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.626 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.66 133.89 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.916 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -106.5 163.04 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.52 123.29 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -135.2 95.79 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -173.26 -146.49 5.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -96.76 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 0.801 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.15 3.11 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.71 -67.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.37 -44.0 68.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -61.3 -36.46 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.832 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.11 -38.03 75.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.843 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -68.5 -32.84 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -71.83 -30.05 65.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.582 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.18 -38.01 44.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.7 -72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.685 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -38.95 -33.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 26.1 t70 -69.35 -51.29 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 22' ' ' LEU . 94.8 t -61.87 -38.7 81.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.904 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.6 mt -61.72 -54.14 46.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.1 m -71.82 -30.17 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 9.3 mtmt -55.66 -41.36 73.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.64 -44.25 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.54 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.803 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.68 -16.67 59.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.1 p -134.98 166.48 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.469 0.176 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -114.82 127.68 55.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.684 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.8 pt20 -119.26 -179.9 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -153.19 127.84 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.88 155.91 17.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.8 m-85 -154.94 -179.52 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.09 138.33 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.738 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.8 mm -82.57 130.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.781 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.4 pt -124.24 -1.73 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.2 t0 -93.77 124.45 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -7.97 35.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.562 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.2 m -89.24 -14.47 35.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.632 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.15 118.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.75 109.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.57 -167.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.813 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -26.7 67.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.66 -65.23 1.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.822 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.412 1.743 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.711 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.96 -29.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.486 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.57 -56.82 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.8 mtp -56.39 -49.68 73.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.928 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.82 -49.94 74.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.744 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -63.0 -42.65 97.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -62.0 -62.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.89 -25.23 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -67.38 -55.65 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' PHE . 4.6 p -75.26 -40.4 58.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -33.11 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.365 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 54.4 m-85 -75.78 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.8 t0 -179.07 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.97 151.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 78.62 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.907 HD11 ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt -78.81 146.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -133.91 147.58 51.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.006 HD13 HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.5 139.21 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.2 tt0 -136.51 150.3 48.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.832 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.8 t80 -156.82 108.66 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.639 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER 50.14 50.85 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 78.12 2.22 82.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 3.9 tptt -97.18 88.99 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.11 147.79 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.787 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.6 -166.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.787 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.04 116.97 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.896 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -77.92 20.46 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.744 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -120.99 5.41 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.21 146.01 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.711 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -85.69 -54.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.492 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 3.9 mtp -36.79 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -84.25 -55.33 2.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.966 HG22 HD12 ' A' ' 35' ' ' LEU . 96.3 t -57.48 -31.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.813 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.1 mtp -76.06 -47.61 23.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.0 m -75.55 5.32 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.006 HD12 HD13 ' A' ' 35' ' ' LEU . 7.1 mt -83.75 8.13 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 35.07 47.4 0.72 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 61' ' ' ILE . 21.4 t -63.87 61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.619 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.1 168.01 34.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.02 159.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.15 5.72 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.832 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -99.05 138.38 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.7 mt-10 -96.5 122.73 39.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 55' ' ' VAL . 2.7 pt -111.4 174.3 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.604 ' O ' ' N ' ' A' ' 36' ' ' GLU . 61.0 m -152.06 156.4 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.353 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.667 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.43 135.21 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.89 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -106.62 160.32 15.53 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 1' ' ' MET . . . -155.04 121.57 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 24.1 t0 -132.47 93.52 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -167.83 -147.61 5.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -95.01 -28.65 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 109.938 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 72' ' ' ASP . 85.3 m-20 -112.67 7.76 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -33.61 -50.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.609 ' HA ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -64.11 -44.45 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.78 -36.68 79.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.378 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.907 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.84 -35.41 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.741 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.53 -33.65 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.2 -41.19 35.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -53.58 -70.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.681 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -34.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 19.6 t0 -70.23 -50.29 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 22' ' ' LEU . 77.2 t -61.84 -38.86 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.928 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.9 mt -61.38 -53.55 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 m -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 10.6 mtmt -56.04 -41.58 75.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.59 -44.2 16.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.26 23.76 6.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.865 HD13 HG12 ' A' ' 14' ' ' ILE . 6.1 mt -77.2 -16.88 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.5 p -134.48 166.05 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.781 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 64' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 70' ' ' GLU . 1.1 mm-40 -89.48 156.92 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 0.0 110.357 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' TYR . 6.3 pt20 -159.0 166.39 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -160.18 132.29 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -102.42 158.29 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.5 m-85 -155.24 177.66 11.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -128.73 136.64 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 55' ' ' VAL . 33.4 mm -80.74 127.42 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.674 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.5 pt -122.24 -0.19 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 43.4 t0 -94.24 124.8 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.53 -7.7 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.056 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 15' ' ' HIS . 89.6 m -89.87 -13.89 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.2 119.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.41 109.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.629 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.37 -167.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.794 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -54.79 -65.53 1.31 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.815 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.98 -50.29 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.731 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.5 -29.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.472 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.62 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mtp -56.17 -45.84 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.954 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.1 -49.99 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 44' ' ' LEU . 2.5 t -63.38 -41.46 92.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -61.89 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.617 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.86 -22.94 16.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.74 -57.89 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 29' ' ' PHE . 97.6 p -75.68 -42.28 51.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 2.0 mmmm -33.19 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' HZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.5 m-85 -73.49 -87.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 31' ' ' SER . 4.9 t0 172.61 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.568 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.29 157.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.6 84.21 5.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.09 144.22 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.12 147.06 50.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.984 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -98.2 136.94 37.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.4 tt0 -132.1 150.9 52.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 1.207 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.821 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -156.26 107.06 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.701 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER 52.92 50.8 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.7 4.02 80.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.9 tptt -100.32 92.21 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.45 149.92 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.35 -165.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.816 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -97.08 112.53 24.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.897 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -75.44 18.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -116.58 2.57 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 4.6 t -131.87 145.48 51.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.731 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -85.59 -51.38 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.451 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.81 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 1.0 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.69 -56.86 2.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.984 HG22 HD12 ' A' ' 35' ' ' LEU . 57.8 t -57.13 -28.97 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.794 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.7 mtp -79.3 -50.91 10.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 m -75.22 6.83 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.68 10.94 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.7 48.06 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 8' ' ' ILE . 12.4 t -62.96 62.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -64.49 167.51 28.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.38 161.29 31.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER 65.34 5.3 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.67 135.61 40.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 17.3 mt-10 -94.42 120.13 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -110.42 168.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 36' ' ' GLU . 76.1 m -146.55 155.22 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -136.23 137.63 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.909 ' O ' HG23 ' A' ' 33' ' ' ILE . 53.0 m-85 -113.46 163.16 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.29 128.08 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -135.2 90.02 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.41 -143.88 3.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m -97.43 -29.2 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 72' ' ' ASP . 79.5 m-20 -111.52 7.3 20.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.568 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.99 -64.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -53.34 -44.27 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -63.33 -35.4 80.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.26 -35.7 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -73.31 -30.19 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -73.46 -28.83 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.32 -41.28 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.27 -69.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.665 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.16 -34.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.09 . . . . 0.0 109.932 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 24.8 t0 -69.71 -47.78 61.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 22' ' ' LEU . 85.5 t -64.59 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.954 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.0 mt -62.24 -51.13 68.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -73.65 -29.86 62.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.11 -41.24 78.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.2 mt-10 -82.13 -45.74 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.24 24.79 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -77.44 -15.28 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.523 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.2 p -134.91 165.91 24.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.674 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB2' ' CB ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.478 0.18 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.837 ' OE2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -122.74 147.28 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.745 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -134.11 -179.47 5.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.69 129.8 6.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.629 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.22 158.72 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.946 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.3 m-85 -153.48 179.33 8.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.35 135.99 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.731 HG22 ' HA ' ' A' ' 57' ' ' LYS . 41.3 mm -80.06 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.785 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.0 pt -123.28 -2.99 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.738 ' OD2' HD23 ' A' ' 86' ' ' LEU . 49.6 t0 -92.94 122.88 35.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.366 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -66.89 -8.21 27.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.1 m -87.83 -15.44 36.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.643 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 118.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.732 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.45 113.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 0.724 . . . . 0.0 109.193 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.664 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -112.39 -169.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.531 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.882 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.14 -21.68 65.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.737 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -62.51 -65.91 1.86 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.846 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 -48.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.2 -29.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.13 -57.08 5.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.8 mtp -56.25 -44.53 79.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.889 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.64 -51.02 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.4 t -61.89 -40.59 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.4 tt0 -62.48 -63.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.43 -22.92 22.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.97 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -72.96 -43.64 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.18 -35.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.3 m-85 -70.72 -86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.6 t70 173.78 -60.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.86 158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 84.59 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.4 mp -80.44 144.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.706 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -131.58 146.7 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.065 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -97.9 152.95 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.944 ' N ' HD23 ' A' ' 35' ' ' LEU . 27.5 tt0 -147.47 149.18 32.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.734 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.12 110.37 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.679 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.95 50.8 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.6 4.51 75.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.1 tptt -100.87 92.74 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.55 150.56 23.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.791 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.35 -170.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.791 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.59 112.46 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -72.91 20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -120.34 5.53 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -131.84 144.56 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.54 -53.53 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.22 -29.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.968 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.11 -54.55 2.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.065 HG22 HD13 ' A' ' 35' ' ' LEU . 75.4 t -59.62 -29.09 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.882 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.0 mtp -78.97 -49.82 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -75.31 4.78 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.57 9.86 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.92 47.61 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 8' ' ' ILE . 57.0 t -63.24 62.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.13 169.39 31.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 7.0 ttmt -70.93 162.44 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.7 t70 64.75 5.37 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.16 138.42 37.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 24.4 mt-10 -98.19 121.74 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -111.68 170.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.597 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.3 m -147.64 159.45 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.672 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.99 136.65 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -110.03 164.08 12.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.837 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . . . -154.62 127.59 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 10.1 t0 -138.56 89.32 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.71 -143.84 3.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -96.49 -32.92 12.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.769 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 72' ' ' ASP . 25.5 m-20 -108.95 8.33 26.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.673 ' C ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -30.47 -66.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.476 ' N ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -52.6 -45.12 66.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -61.14 -34.13 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.749 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.28 -37.04 74.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.745 HD13 ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.56 -33.56 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -70.52 -29.55 66.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.22 -38.63 42.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.27 -70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.672 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -33.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 28.4 t0 -69.38 -48.34 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 22' ' ' LEU . 87.5 t -64.49 -38.42 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.889 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.8 mt -63.23 -51.9 64.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -73.25 -29.58 62.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.565 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -57.22 -41.86 80.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.08 -45.09 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.67 23.73 6.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.549 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.5 p -134.75 166.81 22.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.785 ' C ' HD13 ' A' ' 9' ' ' ILE . 29.2 mttt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.538 ' HB2' ' CA ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.466 0.174 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.819 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -120.31 129.18 53.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.566 1.166 . . . . 0.0 110.243 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 74' ' ' ILE . 4.0 pt20 -116.7 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -154.17 126.95 8.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.99 155.67 17.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.6 m-85 -154.58 177.22 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -128.15 135.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.2 mm -80.07 128.58 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.665 HD11 ' O ' ' A' ' 87' ' ' THR . 35.1 pt -122.22 -1.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.69 ' OD1' HD23 ' A' ' 86' ' ' LEU . 61.7 t0 -92.5 123.29 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.66 -7.38 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.2 m -89.84 -13.36 36.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 117.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.94 110.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 0.73 . . . . 0.0 109.364 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.634 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.66 -166.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.577 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.55 -27.54 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 mtt180 -56.88 -65.38 1.72 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.726 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.98 -30.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.495 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.95 -55.04 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.61 -45.19 81.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -61.51 -48.42 81.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -65.58 -42.1 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -60.57 -62.13 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.41 -35.42 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.12 -38.24 78.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.6 p -78.37 -46.53 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -35.46 -35.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 25' ' ' THR . 58.8 m-85 -77.75 -158.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -122.97 -42.78 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.53 151.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -90.23 79.6 6.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.1 mp -78.04 148.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.616 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -138.69 143.65 39.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.897 HD12 HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -91.64 144.74 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.783 ' H ' HD23 ' A' ' 35' ' ' LEU . 29.9 tt0 -141.45 147.64 38.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.85 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.3 t80 -154.76 110.28 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.636 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 18.5 p30 50.22 51.28 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 76.0 5.33 80.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.3 tptt -100.6 89.82 4.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.95 148.98 23.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.775 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.83 -166.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -94.62 116.94 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.832 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -77.11 18.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.387 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -121.57 7.35 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -133.94 137.07 44.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -79.27 -51.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.472 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.3 -33.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -83.86 -54.33 3.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.897 HG22 HD12 ' A' ' 35' ' ' LEU . 60.4 t -56.56 -33.79 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.741 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.4 mtp -74.38 -48.08 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 m -76.79 5.79 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 35' ' ' LEU . 6.9 mt -83.4 8.7 12.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.86 46.69 0.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 HG21 ' A' ' 61' ' ' ILE . 44.3 t -65.07 62.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -68.04 169.19 39.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.749 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -71.12 159.86 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.1 t70 65.47 5.0 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.58 137.23 38.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 87.4 mt-10 -96.3 120.5 36.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.56 174.93 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 m -152.81 158.75 42.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.47 132.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.872 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -104.93 160.86 14.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.34 122.24 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.538 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 22.5 t0 -133.11 96.73 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -175.3 -147.91 6.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -95.88 -28.44 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.15 3.02 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.89 -66.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.483 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.49 -43.73 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.98 -36.67 80.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.812 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.2 -35.19 73.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.819 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.73 -33.91 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.07 -30.03 66.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -78.02 -40.28 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.86 -72.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.696 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.91 -33.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.069 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.597 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 21.3 t0 -68.67 -48.0 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.737 ' HB ' HD12 ' A' ' 22' ' ' LEU . 59.9 t -65.5 -39.93 86.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.901 ' HG ' HD11 ' A' ' 22' ' ' LEU . 43.1 mt -62.77 -50.19 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -74.72 -29.88 61.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.597 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.6 mmtt -57.14 -41.24 78.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -84.48 -45.87 12.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.18 26.17 6.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 18' ' ' PRO . 3.9 mt -78.27 -17.91 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.706 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 7.3 p -129.56 175.92 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.62 ' CG ' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -118.98 115.61 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.768 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -119.73 177.88 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.585 ' OD1' HG21 ' A' ' 74' ' ' ILE . 4.2 m120 -155.06 130.15 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.53 157.76 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.997 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.4 m-85 -154.56 179.6 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -130.83 135.52 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.4 mm -79.83 129.97 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.6 pt -124.18 -1.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.1 t0 -93.67 124.87 37.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.59 -9.18 48.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 13' ' ' GLY . 81.5 m -87.54 -15.22 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.67 119.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.767 HG12 HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -20.92 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.85 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.34 -167.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.772 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.91 -27.55 68.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.85 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -56.98 -65.55 1.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.14 -33.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' HD11 ' A' ' 47' ' ' ILE . 2.8 m -66.86 -57.72 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtp -56.01 -46.83 78.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.978 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.29 -51.31 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.727 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -61.8 -41.73 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.1 tt0 -62.62 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.626 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.78 -23.4 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.03 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' PHE . 76.9 p -73.97 -41.89 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -31.94 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -72.0 -92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 5.1 t70 -179.03 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.77 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.034 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.04 82.38 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.933 HD11 ' CB ' ' A' ' 73' ' ' ALA . 2.8 mt -79.49 144.25 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.93 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.69 138.09 33.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -136.34 148.66 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 8.9 t80 -156.01 109.81 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER 51.2 50.05 19.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.17 4.03 82.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.699 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tptm -98.9 90.69 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -89.05 148.62 23.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -151.03 -166.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.809 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -95.15 114.69 26.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -76.36 21.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.727 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -120.41 4.78 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.55 146.19 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.055 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.683 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -86.96 -50.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.408 1.067 . . . . 0.0 109.394 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -36.62 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.986 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.25 -59.76 1.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 35' ' ' LEU . 54.2 t -52.83 -30.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.772 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.9 mtp -78.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 t -74.76 6.58 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.61 10.28 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.606 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.26 48.36 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 8' ' ' ILE . 24.5 t -63.28 62.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.72 167.71 33.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.746 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.14 162.53 29.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 64.12 6.53 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -102.14 137.49 40.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 20.1 mt-10 -96.24 122.44 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.655 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -110.65 172.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 36' ' ' GLU . 88.5 m -150.71 156.64 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.697 ' CD1' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -140.14 134.15 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.907 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.5 m-85 -105.24 165.05 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.92 128.76 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.62 ' HB2' ' CG ' ' A' ' 1' ' ' MET . 19.6 t0 -135.51 92.41 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.56 -152.59 7.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 t -94.34 -22.2 18.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 72' ' ' ASP . 13.6 m-20 -116.41 6.03 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -31.26 -51.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.227 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.572 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.58 -46.15 91.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.958 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -60.85 -34.52 74.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.933 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.36 -38.07 74.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -74.09 -33.94 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.539 ' OE1' ' O ' ' A' ' 71' ' ' SER . 1.3 mp0 -67.92 -30.69 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.47 -41.55 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.25 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.667 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.73 -34.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.578 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.3 t0 -70.21 -47.27 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG12 HD12 ' A' ' 22' ' ' LEU . 96.1 t -64.97 -38.64 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.978 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.3 mt -62.69 -51.2 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -74.54 -29.55 61.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.1 mmtt -57.41 -41.95 81.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -81.45 -46.32 14.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.05 24.05 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.3 mt -77.59 -16.94 58.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.545 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.62 167.19 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.749 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.6 mmtp . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.2 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.487 0.184 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.713 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -111.84 125.08 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -121.35 179.83 4.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.46 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.3 131.92 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.1 159.49 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.933 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.6 m-85 -154.59 -178.84 7.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -128.88 143.95 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 57' ' ' LYS . 31.2 mm -91.31 126.2 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.8 HG21 ' HD3' ' A' ' 88' ' ' LYS . 31.5 pt -120.51 -2.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.704 ' OD1' HD23 ' A' ' 86' ' ' LEU . 59.5 t0 -91.66 122.74 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -68.59 -8.13 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.9 m -88.29 -14.57 37.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.9 119.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.65 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -20.53 112.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.666 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -111.77 -166.43 1.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.586 1.179 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.24 -25.96 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.2 mtm180 -58.08 -65.29 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.04 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.738 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.22 -27.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.622 1.201 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.525 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -73.95 -57.86 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.3 mtp -55.98 -47.57 77.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.887 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.32 -50.47 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.684 HG22 HD12 ' A' ' 44' ' ' LEU . 3.4 t -61.99 -41.86 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -61.9 -61.95 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.66 -25.17 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.47 -54.75 14.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.2 p -74.73 -41.39 60.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -33.58 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 51.2 m-85 -75.5 -94.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . 15.5 t70 175.93 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -38.64 150.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 78.65 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -79.01 145.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -136.71 145.39 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.9 tt -92.93 147.83 22.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.903 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.9 tt0 -144.02 148.73 35.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.1 t80 -155.77 110.64 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.683 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER 49.77 48.93 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.33 1.82 86.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -96.88 89.94 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.81 149.71 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.77 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.2 -168.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.77 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -95.26 116.76 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 HG22 ' A' ' 33' ' ' ILE . 1.1 tp -79.18 18.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.661 ' HA ' HG13 ' A' ' 23' ' ' VAL . 2.9 mmmt -119.08 4.07 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -136.04 143.05 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.738 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.05 -54.89 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.519 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.65 -28.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -86.04 -44.28 6.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 35' ' ' LEU . 71.3 t -71.48 -33.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.846 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.8 mtp -75.33 -50.67 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -54.39 -17.32 2.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -76.56 154.26 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -98.02 53.94 1.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 61' ' ' ILE . 4.8 t -65.94 60.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.754 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -73.95 166.47 54.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.64 155.46 33.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.751 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 65.45 4.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -94.67 137.41 33.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 53.5 mt-10 -96.61 120.61 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 55' ' ' VAL . 2.5 pt -110.43 175.61 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.8 m -152.2 158.52 42.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.65 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.54 134.41 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.883 ' O ' HG23 ' A' ' 33' ' ' ILE . 8.1 m-85 -105.8 161.47 14.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.01 122.85 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.498 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 23.3 t0 -132.85 98.68 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -177.85 -151.67 9.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -93.6 -21.63 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.076 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.92 1.12 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.58 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.15 -44.83 71.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -61.04 -35.8 77.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.1 -34.55 73.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.713 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.39 -32.94 44.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.19 -30.95 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.648 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.63 -41.51 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -54.05 -70.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.04 -33.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.8 t0 -70.41 -47.79 59.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.871 HG12 HD12 ' A' ' 22' ' ' LEU . 99.6 t -64.46 -39.06 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.887 ' HG ' HD11 ' A' ' 22' ' ' LEU . 31.5 mt -63.62 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -73.92 -29.65 62.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.584 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.2 mmtt -57.01 -40.66 77.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.97 -43.87 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.9 26.24 6.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.704 HD23 ' OD1' ' A' ' 10' ' ' ASP . 3.0 mt -79.18 -18.84 52.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 18.4 p -128.75 173.77 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 9' ' ' ILE . 27.8 mmtt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.539 0.209 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.738 ' CG ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -115.87 125.78 53.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -119.92 178.47 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -153.86 127.98 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.16 156.33 17.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -154.91 -178.51 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -132.49 137.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.757 HG13 HG12 ' A' ' 55' ' ' VAL . 38.0 mm -81.22 129.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.747 HD13 ' C ' ' A' ' 88' ' ' LYS . 15.8 pt -122.67 -2.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.577 ' OD1' HD23 ' A' ' 86' ' ' LEU . 63.0 t0 -93.76 124.74 37.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -8.52 38.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' GLY . 86.3 m -88.53 -15.16 35.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.63 119.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -21.43 110.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.882 ' CD2' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.24 -168.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.519 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.15 -25.27 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.882 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -59.04 -65.6 1.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.834 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 -48.81 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.746 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.05 -29.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.81 -56.43 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.6 mtp -56.24 -46.58 79.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -60.83 -50.36 73.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.631 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -62.57 -41.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.4 tt0 -61.66 -61.31 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.61 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.75 -32.5 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.73 -39.36 80.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 5.9 m -80.02 -44.2 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 1.5 mmmm -34.71 -36.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 68.8 m-85 -76.54 -157.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 31' ' ' SER . 2.7 t70 -118.12 -53.34 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.94 157.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.977 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.96 88.71 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -80.88 147.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.4 145.71 49.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.24 139.78 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -137.0 149.11 47.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.836 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.1 t80 -154.9 106.83 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.648 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER 50.82 50.6 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.4 1.35 86.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -96.42 88.56 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.97 147.4 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.72 -165.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.789 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.8 115.4 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.852 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -76.18 18.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -119.2 5.32 11.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.0 t -132.99 143.69 49.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -84.06 -53.46 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.485 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.91 -31.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.07 -54.73 2.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 35' ' ' LEU . 97.6 t -57.15 -31.41 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 109.343 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.851 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.0 mtp -76.49 -48.41 19.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -74.85 4.08 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.952 HD12 HD13 ' A' ' 35' ' ' LEU . 7.6 mt -82.19 7.46 13.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.21 47.63 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.757 HG12 HG13 ' A' ' 8' ' ' ILE . 16.3 t -64.08 62.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.01 168.4 33.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.739 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.03 159.29 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.5 t70 64.43 4.86 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.836 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -97.31 137.45 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 18.4 mt-10 -95.98 122.91 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -112.37 172.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 36' ' ' GLU . 73.9 m -150.31 156.32 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -137.82 134.23 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.858 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -106.8 159.31 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 1' ' ' MET . . . -154.86 122.02 5.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 21.1 t0 -130.95 96.79 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -170.26 -149.29 6.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 t -94.9 -22.74 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASP . 20.4 m-20 -117.72 6.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.606 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.3 pt-20 -34.16 -50.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.481 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -62.57 -44.34 96.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -63.84 -34.12 77.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.18 -33.8 72.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -73.57 -33.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.23 -28.07 63.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.33 -39.68 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.85 -70.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.67 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.68 -34.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.577 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 25.4 t0 -68.4 -48.12 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 22' ' ' LEU . 89.5 t -64.92 -38.68 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.827 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.2 mt -63.17 -50.82 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.73 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.1 mmtt -57.2 -41.9 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.22 -45.45 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.98 24.75 6.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 14' ' ' ILE . 5.6 mt -77.44 -15.97 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.534 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.0 p -134.81 165.92 24.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.747 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.685 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.6 pt20 -114.89 -177.6 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -155.84 128.2 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.74 156.57 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -155.48 179.19 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.2 137.03 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.7 mm -81.07 130.55 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.4 pt -124.89 -1.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.4 t0 -94.09 123.83 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 1.1 pp20? -68.49 -7.38 31.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.57 HG22 ' CD2' ' A' ' 15' ' ' HIS . 91.3 m -88.7 -14.22 37.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.618 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.39 119.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -22.24 111.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.64 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.85 -166.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -27.82 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.4 -65.16 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.791 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.709 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.89 -28.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.499 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.83 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.412 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.4 mtp -56.0 -49.34 73.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.902 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -57.58 -51.14 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.743 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -61.97 -43.18 97.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.9 tt0 -62.07 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -54.72 -21.66 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 22' ' ' LEU . . . -69.04 -66.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.56 -40.38 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 13.6 mmtp -33.85 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.2 m-85 -72.07 -81.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.4 t70 169.57 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.613 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.3 157.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.969 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.86 84.75 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.4 mt -82.52 145.33 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -132.63 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.8 tt -95.19 148.46 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 35' ' ' LEU . 28.7 tt0 -143.86 147.4 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.813 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.1 t80 -154.07 110.02 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.64 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 17.9 p30 50.34 52.37 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.94 74.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -100.42 90.28 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.93 149.2 23.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.62 -169.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.784 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.35 116.64 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.893 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.25 22.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.743 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -122.32 4.71 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.65 139.57 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.709 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -79.93 -53.43 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.23 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.16 -52.47 3.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 35' ' ' LEU . 96.1 t -60.07 -31.39 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -76.02 -48.65 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -75.84 7.56 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.857 ' CD1' HD22 ' A' ' 35' ' ' LEU . 6.1 mt -84.35 6.83 21.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.62 47.09 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.722 HG13 HG21 ' A' ' 61' ' ' ILE . 21.2 t -63.88 62.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.21 167.21 32.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -71.03 160.37 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 t70 63.71 5.36 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.813 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.82 138.32 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.8 mt-10 -96.16 121.32 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.722 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -111.11 173.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -151.53 159.26 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.682 HG12 HG21 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -141.03 134.17 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.936 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.9 m-85 -106.4 161.78 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.02 125.91 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -135.71 90.95 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.78 -148.91 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -97.06 -18.73 19.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -114.1 -0.23 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.671 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -30.2 -67.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.495 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -44.44 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.1 t0 -63.42 -35.88 81.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.875 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.92 -34.55 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.733 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.8 -35.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' A' ' 75' ' ' GLN . 24.3 mm-40 -70.24 -28.75 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.8 -40.62 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.07 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.658 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.579 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 29.1 t0 -69.62 -47.82 62.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.902 HG12 HD12 ' A' ' 22' ' ' LEU . 89.3 t -64.99 -38.54 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.885 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.1 mt -63.3 -51.66 65.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -29.71 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -56.72 -41.99 78.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.34 -44.85 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.27 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.791 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.1 mt -76.75 -15.99 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.548 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.9 p -134.89 166.32 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.727 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -115.69 -178.42 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -156.08 128.35 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.85 156.17 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.8 m-85 -155.08 -179.6 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.05 137.67 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.832 HG13 HG12 ' A' ' 55' ' ' VAL . 30.0 mm -81.78 128.26 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.8 pt -122.81 -0.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.635 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 65.3 t0 -94.41 124.53 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -7.14 31.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.525 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.5 m -88.7 -15.14 35.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.634 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.84 119.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.634 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.47 110.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.26 -167.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.645 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.797 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -26.55 66.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.0 mtm180 -57.69 -65.31 1.89 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.742 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.69 -29.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.537 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -71.37 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 51.5 mtp -56.14 -46.12 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.89 -50.77 72.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 44' ' ' LEU . 2.7 t -62.09 -41.95 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 tt0 -61.75 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.632 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -22.36 15.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.44 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.26 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -73.1 -43.01 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.942 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.9 mmmm -32.42 -35.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.658 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.7 m-85 -70.02 -82.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER 170.12 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.586 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -37.12 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -92.84 85.03 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.2 mt -82.03 145.48 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.66 144.45 49.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.957 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -93.65 151.17 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.957 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.7 tt0 -145.5 148.02 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.727 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -154.33 110.19 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.649 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.1 p30 50.62 52.59 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.62 4.85 71.73 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.1 tptt -100.92 91.2 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.74 149.99 23.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.802 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.28 -171.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.769 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.873 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.33 18.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.67 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -116.76 2.07 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -134.41 145.02 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.742 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.47 -58.45 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -17.9 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.79 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -66.25 -67.78 1.89 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD13 ' A' ' 35' ' ' LEU . 94.8 t -41.04 -33.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.797 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -79.34 -50.8 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 t -78.86 9.56 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 HG11 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.49 10.82 11.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.627 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.21 46.28 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.832 HG12 HG13 ' A' ' 8' ' ' ILE . 11.5 t -62.35 62.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -62.76 166.8 22.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.74 ' HA ' HG22 ' A' ' 8' ' ' ILE . 6.1 ttpp -71.21 160.37 32.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.14 5.47 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.49 137.11 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 44.6 mt-10 -94.71 122.37 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.74 HG21 HG13 ' A' ' 55' ' ' VAL . 3.8 pt -112.96 174.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 36' ' ' GLU . 54.1 m -151.05 159.44 44.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.637 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -141.09 135.14 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.927 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 m-85 -108.02 160.91 15.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.56 124.4 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.378 1.049 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -136.13 89.02 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -161.41 -145.12 4.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.4 p -97.81 -25.75 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' ASP . 69.5 m-20 -114.91 6.68 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.586 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -32.69 -61.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.468 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -53.91 -45.4 71.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -63.84 -33.18 75.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -69.98 -34.55 73.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.785 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.52 -35.2 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 24.2 mm-40 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.658 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -78.04 -41.15 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.32 -70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.659 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.89 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.5 t0 -69.58 -47.85 62.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 22' ' ' LEU . 92.9 t -65.05 -38.37 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.936 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.1 mt -63.01 -51.23 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.94 -30.12 62.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.06 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.576 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.7 mmtt -56.71 -40.73 76.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -83.54 -45.96 12.97 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.02 24.03 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.1 mt -76.16 -16.2 59.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.541 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.6 p -134.73 166.62 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.768 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -117.75 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 127.37 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.61 156.01 17.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.5 m-85 -155.11 177.32 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.24 136.5 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.742 HG13 HG12 ' A' ' 55' ' ' VAL . 34.7 mm -79.35 127.45 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -121.18 -1.32 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 86' ' ' LEU . 61.5 t0 -93.84 125.84 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -7.02 30.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 15' ' ' HIS . 71.0 m -90.03 -14.3 34.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 54.86 118.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.78 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.18 108.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.644 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.8 -167.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.809 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.91 -26.87 67.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 mtt85 -57.89 -65.02 2.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.838 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -75.06 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.83 -32.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.497 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -67.08 -56.08 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 26.1 mtp -56.24 -45.19 80.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.016 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.65 -49.26 77.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 t -64.78 -41.24 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.6 tt0 -61.72 -63.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.26 -32.66 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.355 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' PHE . 2.9 p -77.31 -42.85 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 10.0 mmtp -36.11 -36.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 73.5 m-85 -79.36 -157.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.0 t70 -122.82 -45.12 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.223 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.433 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.76 152.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.97 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -91.92 81.24 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -79.07 147.5 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -139.15 140.35 37.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.057 HD13 HG22 ' A' ' 50' ' ' VAL . 4.7 tt -87.92 152.11 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.3 tt0 -147.38 147.73 30.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.673 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -155.61 112.57 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.3 p30 50.9 48.42 23.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.46 82.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -99.0 92.13 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.56 149.31 23.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.23 -170.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -91.57 116.31 28.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -75.28 19.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -123.23 8.69 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.01 139.65 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.69 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.35 -51.8 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -37.36 -30.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.935 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.84 -58.03 2.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.057 HG22 HD13 ' A' ' 35' ' ' LEU . 93.8 t -54.97 -32.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.585 0.814 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.809 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.7 mtp -76.71 -49.88 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.5 m -75.72 3.87 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 9.51 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.77 47.8 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.742 HG12 HG13 ' A' ' 8' ' ' ILE . 21.8 t -64.04 62.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.83 170.78 32.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -70.43 160.59 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.3 t70 64.92 5.22 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.43 136.23 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 11.7 mt-10 -96.98 117.12 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 55' ' ' VAL . 3.5 pt -107.78 175.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.5 m -154.1 158.82 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.14 131.22 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.885 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.1 m-85 -104.08 160.58 14.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.72 123.6 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -135.08 97.17 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -174.58 -147.53 6.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -96.01 -27.29 15.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -108.81 3.78 22.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.58 -67.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.491 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -53.42 -42.57 67.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.97 -37.41 82.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.39 -34.88 73.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.74 -32.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.47 -29.96 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.234 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.4 -42.82 29.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -53.78 -73.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.693 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -39.19 -34.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.572 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.6 t0 -69.49 -48.9 59.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.724 ' CG1' HD12 ' A' ' 22' ' ' LEU . 94.0 t -64.46 -39.59 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HG ' HD11 ' A' ' 22' ' ' LEU . 40.0 mt -62.1 -51.4 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 m -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.2 mmtt -57.54 -41.36 80.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.1 mt-10 -82.93 -45.77 13.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.22 24.71 6.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.838 HD11 ' CB ' ' A' ' 18' ' ' PRO . 7.6 mt -75.89 -15.43 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.551 ' CA ' HG12 ' A' ' 9' ' ' ILE . 2.6 p -134.38 165.72 24.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.768 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.5 mmtt . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.723 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.864 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.1 pt20 -120.8 -176.77 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.515 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -157.05 127.04 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.7 156.35 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.4 m-85 -155.24 178.81 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.61 137.23 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.721 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.0 mm -80.85 129.34 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -123.95 -0.95 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -94.64 123.86 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -7.84 35.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.558 HG22 ' CD2' ' A' ' 15' ' ' HIS . 92.6 m -87.64 -15.21 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.78 118.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.754 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.65 112.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.659 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -110.54 -167.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.81 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -69.33 -21.13 63.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.72 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -62.88 -65.08 2.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.844 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.612 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.4 -33.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -64.67 -57.81 8.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 110.42 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtp -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.928 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -61.56 -51.27 69.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.755 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.8 t -61.93 -40.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.0 tt0 -62.39 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -54.52 -24.17 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.2 -59.83 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.8 p -75.28 -42.3 55.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.76 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.0 m-85 -71.99 -89.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.4 t0 173.77 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -37.83 150.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 78.6 9.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.19 145.19 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.635 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -134.09 143.69 48.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.3 tt -92.8 148.88 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.849 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.4 tt0 -144.19 149.25 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.792 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -155.18 108.58 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.662 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.0 p30 51.47 49.27 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 2.81 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 8.8 tptt -98.53 90.06 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.92 149.3 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.29 -166.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.792 ' N ' HG23 ' A' ' 42' ' ' VAL . 21.2 t-20 -95.92 115.0 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.839 HD23 ' CG2' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -76.1 19.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.24 5.4 10.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -132.8 133.9 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.612 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -75.37 -52.95 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.484 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -37.42 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.29 -55.03 2.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.829 HG22 ' CD1' ' A' ' 35' ' ' LEU . 85.1 t -58.51 -32.33 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.81 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.2 mtp -74.75 -48.14 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 m -79.77 9.67 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.777 HD13 HD22 ' A' ' 35' ' ' LEU . 5.7 mt -86.03 10.83 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.34 46.15 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HG13 ' A' ' 8' ' ' ILE . 25.1 t -64.58 62.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.49 168.14 35.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.0 160.02 33.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.8 t70 64.44 5.52 2.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.04 137.08 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 48.8 mt-10 -95.71 120.44 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.381 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.646 HG21 HG13 ' A' ' 55' ' ' VAL . 3.2 pt -110.64 174.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 36' ' ' GLU . 52.5 m -151.61 159.87 43.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -141.54 133.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.902 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.6 m-85 -107.96 163.31 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.9 127.22 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -137.09 89.68 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.7 -144.79 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 t -98.02 -31.47 12.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ASP . 56.7 m-20 -109.68 7.13 24.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -33.64 -60.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.508 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -54.56 -44.66 73.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.916 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.4 t0 -63.43 -33.46 75.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.799 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.84 -34.11 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.864 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.55 -34.49 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 27.1 mm-40 -70.78 -28.7 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -77.9 -40.03 41.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.83 -72.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.691 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.02 -33.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 21.2 t0 -69.37 -50.78 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.928 HG12 HD12 ' A' ' 22' ' ' LEU . 87.1 t -62.2 -39.45 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.906 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.1 mt -61.37 -54.03 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 m -71.88 -29.6 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.362 1.039 . . . . 0.0 109.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 8.2 mtmt -56.3 -41.32 75.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.92 -43.96 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.79 24.51 6.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -76.19 -14.97 60.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.33 166.4 23.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.773 ' C ' HD13 ' A' ' 9' ' ' ILE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.723 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.843 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.797 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.0 pt20 -120.5 179.89 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 3' ' ' GLN . 4.2 m120 -157.82 130.91 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.644 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.29 159.34 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 5' ' ' SER . 35.2 m-85 -154.49 178.99 9.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.33 135.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 HG12 ' A' ' 55' ' ' VAL . 39.4 mm -80.27 129.72 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.3 pt -123.06 -1.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.706 ' OD2' HD23 ' A' ' 86' ' ' LEU . 58.9 t0 -92.67 126.58 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' CD ' ' A' ' 57' ' ' LYS . 17.8 mm-40 -69.03 -9.06 50.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 78.3 m -88.77 -15.23 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.16 119.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.691 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.19 110.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.623 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.33 -166.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.2 -27.61 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.068 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.719 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -57.26 -65.0 1.98 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.803 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.0 Cg_endo -75.03 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.714 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.79 -29.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.492 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.95 -58.13 3.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 0.0 110.422 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.7 mtp -56.42 -46.0 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.55 -49.86 74.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.774 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -62.52 -41.46 92.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 tt0 -62.05 -63.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -24.3 23.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.87 -59.03 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -74.78 -43.19 56.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.25 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.403 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 25' ' ' THR . 3.8 m-85 -73.25 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.7 t0 171.75 -54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -35.01 150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.63 77.94 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -78.98 144.84 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.651 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -135.61 143.06 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.4 tt -91.72 151.84 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.967 ' N ' HD23 ' A' ' 35' ' ' LEU . 24.4 tt0 -147.75 147.21 29.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.747 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -153.66 111.81 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.605 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.4 p30 49.21 50.14 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 77.73 2.41 81.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.2 tptt -97.95 91.16 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -88.68 149.33 23.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.808 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.71 -168.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.808 ' N ' HG23 ' A' ' 42' ' ' VAL . 23.7 t-20 -93.87 115.34 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -74.8 17.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.774 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.47 7.71 10.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 50' ' ' VAL . 5.3 t -132.37 137.87 47.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.56 -53.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.497 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.54 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.94 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.54 -54.81 2.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 35' ' ' LEU . 90.4 t -58.43 -30.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.817 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.2 mtp -78.27 -50.12 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -74.97 4.8 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.64 8.56 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.635 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.9 48.04 0.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 8' ' ' ILE . 37.1 t -61.84 63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -63.05 166.95 23.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.29 162.43 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 1.6 t70 64.19 5.61 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.35 138.33 35.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 6.0 mt-10 -96.77 119.59 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.622 HG21 HG13 ' A' ' 55' ' ' VAL . 3.4 pt -110.0 173.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -150.68 158.53 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.626 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.66 133.89 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.916 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -106.5 163.04 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.52 123.29 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -135.2 95.79 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -173.26 -146.49 5.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -96.76 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 0.801 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.15 3.11 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.71 -67.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.37 -44.0 68.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -61.3 -36.46 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.832 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.11 -38.03 75.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.843 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -68.5 -32.84 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 21.4 mm-40 -71.83 -30.05 65.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.582 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.18 -38.01 44.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.7 -72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.685 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -38.95 -33.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 26.1 t70 -69.35 -51.29 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 22' ' ' LEU . 94.8 t -61.87 -38.7 81.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.904 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.6 mt -61.72 -54.14 46.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.1 m -71.82 -30.17 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 9.3 mtmt -55.66 -41.36 73.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.64 -44.25 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.54 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.803 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.68 -16.67 59.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.1 p -134.98 166.48 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.684 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.8 pt20 -119.26 -179.9 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -153.19 127.84 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.88 155.91 17.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.8 m-85 -154.94 -179.52 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.09 138.33 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.738 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.8 mm -82.57 130.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.781 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.4 pt -124.24 -1.73 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.2 t0 -93.77 124.45 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -7.97 35.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.562 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.2 m -89.24 -14.47 35.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.632 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.15 118.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.75 109.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.57 -167.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.813 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -26.7 67.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.66 -65.23 1.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.822 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.412 1.743 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.711 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.96 -29.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.486 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.57 -56.82 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.8 mtp -56.39 -49.68 73.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.928 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.82 -49.94 74.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.744 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -63.0 -42.65 97.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -62.0 -62.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.89 -25.23 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -67.38 -55.65 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' PHE . 4.6 p -75.26 -40.4 58.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -33.11 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.365 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 54.4 m-85 -75.78 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.8 t0 -179.07 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.97 151.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 78.62 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.907 HD11 ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt -78.81 146.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -133.91 147.58 51.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.006 HD13 HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.5 139.21 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.2 tt0 -136.51 150.3 48.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.832 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.8 t80 -156.82 108.66 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.63 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.7 p30 50.14 50.85 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.424 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 78.12 2.22 82.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 3.9 tptt -97.18 88.99 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.11 147.79 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.787 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.6 -166.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.787 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.04 116.97 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.896 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -77.92 20.46 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.744 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -120.99 5.41 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.21 146.01 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.711 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -85.69 -54.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.492 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 3.9 mtp -36.79 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -84.25 -55.33 2.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.966 HG22 HD12 ' A' ' 35' ' ' LEU . 96.3 t -57.48 -31.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.813 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.1 mtp -76.06 -47.61 23.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.0 m -75.55 5.32 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.006 HD12 HD13 ' A' ' 35' ' ' LEU . 7.1 mt -83.75 8.13 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 35.07 47.4 0.72 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 61' ' ' ILE . 21.4 t -63.87 61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.619 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.1 168.01 34.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.02 159.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.15 5.72 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.832 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -99.05 138.38 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.7 mt-10 -96.5 122.73 39.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 55' ' ' VAL . 2.7 pt -111.4 174.3 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.604 ' O ' ' N ' ' A' ' 36' ' ' GLU . 61.0 m -152.06 156.4 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.353 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.667 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.43 135.21 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.89 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -106.62 160.32 15.53 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.04 121.57 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -132.47 93.52 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -167.83 -147.61 5.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -95.01 -28.65 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 109.938 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 72' ' ' ASP . 85.3 m-20 -112.67 7.76 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -33.61 -50.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.609 ' HA ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -64.11 -44.45 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.78 -36.68 79.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.378 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.907 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.84 -35.41 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.741 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.53 -33.65 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.3 mm-40 -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.2 -41.19 35.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -53.58 -70.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.681 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -34.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 19.6 t0 -70.23 -50.29 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 22' ' ' LEU . 77.2 t -61.84 -38.86 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.928 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.9 mt -61.38 -53.55 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 m -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 10.6 mtmt -56.04 -41.58 75.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.59 -44.2 16.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.26 23.76 6.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.865 HD13 HG12 ' A' ' 14' ' ' ILE . 6.1 mt -77.2 -16.88 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.5 p -134.48 166.05 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.781 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 65' ' ' ALA . 1.1 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' TYR . 6.3 pt20 -159.0 166.39 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -160.18 132.29 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -102.42 158.29 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.5 m-85 -155.24 177.66 11.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -128.73 136.64 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 55' ' ' VAL . 33.4 mm -80.74 127.42 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.674 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.5 pt -122.24 -0.19 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 43.4 t0 -94.24 124.8 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.53 -7.7 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.056 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 15' ' ' HIS . 89.6 m -89.87 -13.89 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.2 119.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.41 109.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.629 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.37 -167.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.794 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -54.79 -65.53 1.31 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.815 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.98 -50.29 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.731 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.5 -29.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.472 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.62 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mtp -56.17 -45.84 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.954 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.1 -49.99 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 44' ' ' LEU . 2.5 t -63.38 -41.46 92.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -61.89 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.617 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.86 -22.94 16.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.74 -57.89 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 29' ' ' PHE . 97.6 p -75.68 -42.28 51.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 2.0 mmmm -33.19 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.63 ' HZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.5 m-85 -73.49 -87.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 31' ' ' SER . 4.9 t0 172.61 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.568 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.29 157.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.6 84.21 5.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.09 144.22 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.12 147.06 50.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.984 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -98.2 136.94 37.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.4 tt0 -132.1 150.9 52.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 1.207 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.821 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -156.26 107.06 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.701 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.0 p30 52.92 50.8 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.7 4.02 80.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.9 tptt -100.32 92.21 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.45 149.92 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.35 -165.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.816 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -97.08 112.53 24.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.897 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -75.44 18.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -116.58 2.57 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 4.6 t -131.87 145.48 51.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.731 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -85.59 -51.38 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.451 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.81 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 1.0 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.69 -56.86 2.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.984 HG22 HD12 ' A' ' 35' ' ' LEU . 57.8 t -57.13 -28.97 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.794 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.7 mtp -79.3 -50.91 10.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 m -75.22 6.83 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.68 10.94 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.7 48.06 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 8' ' ' ILE . 12.4 t -62.96 62.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -64.49 167.51 28.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.38 161.29 31.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER 65.34 5.3 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.67 135.61 40.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 17.3 mt-10 -94.42 120.13 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -110.42 168.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 36' ' ' GLU . 76.1 m -146.55 155.22 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -136.23 137.63 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.909 ' O ' HG23 ' A' ' 33' ' ' ILE . 53.0 m-85 -113.46 163.16 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.29 128.08 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -135.2 90.02 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.41 -143.88 3.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m -97.43 -29.2 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 72' ' ' ASP . 79.5 m-20 -111.52 7.3 20.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.568 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.99 -64.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -53.34 -44.27 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -63.33 -35.4 80.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.26 -35.7 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -73.31 -30.19 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.6 mm-40 -73.46 -28.83 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.32 -41.28 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.27 -69.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.665 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.16 -34.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.09 . . . . 0.0 109.932 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 24.8 t0 -69.71 -47.78 61.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 22' ' ' LEU . 85.5 t -64.59 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.954 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.0 mt -62.24 -51.13 68.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -73.65 -29.86 62.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.11 -41.24 78.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.2 mt-10 -82.13 -45.74 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.24 24.79 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -77.44 -15.28 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.523 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.2 p -134.91 165.91 24.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.674 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.837 ' OE2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.745 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -134.11 -179.47 5.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.69 129.8 6.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.629 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.22 158.72 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.946 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.3 m-85 -153.48 179.33 8.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.35 135.99 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.731 HG22 ' HA ' ' A' ' 57' ' ' LYS . 41.3 mm -80.06 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.785 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.0 pt -123.28 -2.99 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.738 ' OD2' HD23 ' A' ' 86' ' ' LEU . 49.6 t0 -92.94 122.88 35.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.366 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -66.89 -8.21 27.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.1 m -87.83 -15.44 36.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.643 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 118.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.732 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.45 113.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 0.724 . . . . 0.0 109.193 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.664 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -112.39 -169.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.531 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.882 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.14 -21.68 65.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.737 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -62.51 -65.91 1.86 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.846 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 -48.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.2 -29.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.13 -57.08 5.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.8 mtp -56.25 -44.53 79.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.889 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.64 -51.02 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.4 t -61.89 -40.59 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.4 tt0 -62.48 -63.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.43 -22.92 22.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.97 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -72.96 -43.64 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.18 -35.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.3 m-85 -70.72 -86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.6 t70 173.78 -60.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.86 158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 84.59 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.4 mp -80.44 144.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.706 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -131.58 146.7 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.065 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -97.9 152.95 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.944 ' N ' HD23 ' A' ' 35' ' ' LEU . 27.5 tt0 -147.47 149.18 32.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.734 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.12 110.37 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.679 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.95 50.8 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.6 4.51 75.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.1 tptt -100.87 92.74 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.55 150.56 23.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.791 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.35 -170.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.791 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -93.59 112.46 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -72.91 20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -120.34 5.53 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -131.84 144.56 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.54 -53.53 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.22 -29.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.968 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.11 -54.55 2.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.065 HG22 HD13 ' A' ' 35' ' ' LEU . 75.4 t -59.62 -29.09 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.882 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.0 mtp -78.97 -49.82 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -75.31 4.78 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.57 9.86 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.92 47.61 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 8' ' ' ILE . 57.0 t -63.24 62.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.13 169.39 31.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 7.0 ttmt -70.93 162.44 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.7 t70 64.75 5.37 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.16 138.42 37.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 24.4 mt-10 -98.19 121.74 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -111.68 170.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.597 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.3 m -147.64 159.45 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.672 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.99 136.65 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -110.03 164.08 12.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.837 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . . . -154.62 127.59 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.56 89.32 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.71 -143.84 3.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -96.49 -32.92 12.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.769 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 72' ' ' ASP . 25.5 m-20 -108.95 8.33 26.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.673 ' C ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -30.47 -66.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.476 ' N ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -52.6 -45.12 66.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -61.14 -34.13 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.749 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.28 -37.04 74.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.745 HD13 ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.56 -33.56 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 21.8 mm-40 -70.52 -29.55 66.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.22 -38.63 42.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.27 -70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.672 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -33.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 28.4 t0 -69.38 -48.34 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 22' ' ' LEU . 87.5 t -64.49 -38.42 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.889 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.8 mt -63.23 -51.9 64.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -73.25 -29.58 62.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.565 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -57.22 -41.86 80.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.08 -45.09 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.67 23.73 6.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.549 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.5 p -134.75 166.81 22.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.785 ' C ' HD13 ' A' ' 9' ' ' ILE . 29.2 mttt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.819 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 74' ' ' ILE . 4.0 pt20 -116.7 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -154.17 126.95 8.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.99 155.67 17.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.6 m-85 -154.58 177.22 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -128.15 135.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.2 mm -80.07 128.58 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.665 HD11 ' O ' ' A' ' 87' ' ' THR . 35.1 pt -122.22 -1.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.69 ' OD1' HD23 ' A' ' 86' ' ' LEU . 61.7 t0 -92.5 123.29 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.66 -7.38 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.2 m -89.84 -13.36 36.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 117.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.94 110.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 0.73 . . . . 0.0 109.364 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.634 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.66 -166.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.577 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.55 -27.54 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 mtt180 -56.88 -65.38 1.72 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.726 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.98 -30.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.495 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.95 -55.04 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.61 -45.19 81.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -61.51 -48.42 81.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -65.58 -42.1 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -60.57 -62.13 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.41 -35.42 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.12 -38.24 78.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.6 p -78.37 -46.53 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -35.46 -35.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 25' ' ' THR . 58.8 m-85 -77.75 -158.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -122.97 -42.78 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.53 151.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -90.23 79.6 6.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.1 mp -78.04 148.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.616 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -138.69 143.65 39.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.897 HD12 HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -91.64 144.74 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.783 ' H ' HD23 ' A' ' 35' ' ' LEU . 29.9 tt0 -141.45 147.64 38.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.85 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.3 t80 -154.76 110.28 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.636 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 18.5 p30 50.22 51.28 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 76.0 5.33 80.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.3 tptt -100.6 89.82 4.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.95 148.98 23.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.775 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.83 -166.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -94.62 116.94 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.832 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -77.11 18.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.387 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -121.57 7.35 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -133.94 137.07 44.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -79.27 -51.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.472 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.3 -33.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -83.86 -54.33 3.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.897 HG22 HD12 ' A' ' 35' ' ' LEU . 60.4 t -56.56 -33.79 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.741 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.4 mtp -74.38 -48.08 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 m -76.79 5.79 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 35' ' ' LEU . 6.9 mt -83.4 8.7 12.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.86 46.69 0.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 HG21 ' A' ' 61' ' ' ILE . 44.3 t -65.07 62.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -68.04 169.19 39.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.749 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -71.12 159.86 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.1 t70 65.47 5.0 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.58 137.23 38.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 87.4 mt-10 -96.3 120.5 36.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.595 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.56 174.93 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 m -152.81 158.75 42.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.47 132.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.872 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -104.93 160.86 14.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.34 122.24 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 22.5 t0 -133.11 96.73 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -175.3 -147.91 6.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -95.88 -28.44 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.15 3.02 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.89 -66.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.483 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.49 -43.73 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.98 -36.67 80.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.812 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.2 -35.19 73.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.819 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.73 -33.91 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.427 HE21 HG22 ' A' ' 74' ' ' ILE . 26.5 mm-40 -71.07 -30.03 66.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -78.02 -40.28 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.86 -72.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.696 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.91 -33.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.069 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.597 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 21.3 t0 -68.67 -48.0 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.737 ' HB ' HD12 ' A' ' 22' ' ' LEU . 59.9 t -65.5 -39.93 86.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.901 ' HG ' HD11 ' A' ' 22' ' ' LEU . 43.1 mt -62.77 -50.19 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -74.72 -29.88 61.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.597 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.6 mmtt -57.14 -41.24 78.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -84.48 -45.87 12.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.18 26.17 6.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 18' ' ' PRO . 3.9 mt -78.27 -17.91 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.706 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 7.3 p -129.56 175.92 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.636 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.768 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -119.73 177.88 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.585 ' OD1' HG21 ' A' ' 74' ' ' ILE . 4.2 m120 -155.06 130.15 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.53 157.76 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.997 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.4 m-85 -154.56 179.6 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -130.83 135.52 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.4 mm -79.83 129.97 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.6 pt -124.18 -1.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.1 t0 -93.67 124.87 37.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.59 -9.18 48.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.532 HG22 ' CD2' ' A' ' 15' ' ' HIS . 81.5 m -87.54 -15.22 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.67 119.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.767 HG12 HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -20.92 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.34 -167.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.772 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.91 -27.55 68.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.731 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -56.98 -65.55 1.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.14 -33.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' HD11 ' A' ' 47' ' ' ILE . 2.8 m -66.86 -57.72 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtp -56.01 -46.83 78.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.978 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.29 -51.31 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.727 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -61.8 -41.73 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.1 tt0 -62.62 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.626 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.78 -23.4 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.03 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' PHE . 76.9 p -73.97 -41.89 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -31.94 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -72.0 -92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 5.1 t70 -179.03 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.77 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.034 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.04 82.38 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.933 HD11 ' CB ' ' A' ' 73' ' ' ALA . 2.8 mt -79.49 144.25 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.93 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.69 138.09 33.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -136.34 148.66 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 8.9 t80 -156.01 109.81 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.2 50.05 19.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.17 4.03 82.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.699 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tptm -98.9 90.69 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -89.05 148.62 23.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -151.03 -166.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.809 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.15 114.69 26.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -76.36 21.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.727 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -120.41 4.78 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.55 146.19 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.055 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.683 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -86.96 -50.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.408 1.067 . . . . 0.0 109.394 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -36.62 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.986 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.25 -59.76 1.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 35' ' ' LEU . 54.2 t -52.83 -30.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.772 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.9 mtp -78.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 t -74.76 6.58 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.61 10.28 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.606 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.26 48.36 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 8' ' ' ILE . 24.5 t -63.28 62.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.72 167.71 33.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.746 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.14 162.53 29.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 64.12 6.53 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -102.14 137.49 40.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 20.1 mt-10 -96.24 122.44 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.655 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -110.65 172.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 36' ' ' GLU . 88.5 m -150.71 156.64 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.697 ' CD1' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -140.14 134.15 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.907 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.5 m-85 -105.24 165.05 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.92 128.76 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -135.51 92.41 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.56 -152.59 7.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 t -94.34 -22.2 18.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 72' ' ' ASP . 13.6 m-20 -116.41 6.03 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -31.26 -51.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.227 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.572 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.58 -46.15 91.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.958 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -60.85 -34.52 74.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.933 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.36 -38.07 74.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -74.09 -33.94 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.539 ' OE1' ' O ' ' A' ' 71' ' ' SER . 1.3 mp0 -67.92 -30.69 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.47 -41.55 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.25 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.667 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.73 -34.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.578 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.3 t0 -70.21 -47.27 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG12 HD12 ' A' ' 22' ' ' LEU . 96.1 t -64.97 -38.64 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.978 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.3 mt -62.69 -51.2 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -74.54 -29.55 61.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.1 mmtt -57.41 -41.95 81.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -81.45 -46.32 14.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.05 24.05 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.3 mt -77.59 -16.94 58.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.545 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.62 167.19 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.749 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.6 mmtp . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.2 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.713 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -121.35 179.83 4.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.46 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.3 131.92 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.1 159.49 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.933 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.6 m-85 -154.59 -178.84 7.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -128.88 143.95 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 57' ' ' LYS . 31.2 mm -91.31 126.2 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.8 HG21 ' HD3' ' A' ' 88' ' ' LYS . 31.5 pt -120.51 -2.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.704 ' OD1' HD23 ' A' ' 86' ' ' LEU . 59.5 t0 -91.66 122.74 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -68.59 -8.13 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.9 m -88.29 -14.57 37.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.9 119.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.65 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -20.53 112.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.666 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -111.77 -166.43 1.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.586 1.179 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.24 -25.96 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.2 mtm180 -58.08 -65.29 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.04 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.738 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.22 -27.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.622 1.201 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.525 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -73.95 -57.86 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.3 mtp -55.98 -47.57 77.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.887 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.32 -50.47 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.684 HG22 HD12 ' A' ' 44' ' ' LEU . 3.4 t -61.99 -41.86 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -61.9 -61.95 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.66 -25.17 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.47 -54.75 14.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.2 p -74.73 -41.39 60.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -33.58 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 51.2 m-85 -75.5 -94.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . 15.5 t70 175.93 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -38.64 150.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 78.65 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -79.01 145.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -136.71 145.39 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.9 tt -92.93 147.83 22.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.903 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.9 tt0 -144.02 148.73 35.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.1 t80 -155.77 110.64 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.4 p30 49.77 48.93 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.33 1.82 86.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -96.88 89.94 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.81 149.71 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.77 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.2 -168.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.77 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.26 116.76 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 HG22 ' A' ' 33' ' ' ILE . 1.1 tp -79.18 18.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.661 ' HA ' HG13 ' A' ' 23' ' ' VAL . 2.9 mmmt -119.08 4.07 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -136.04 143.05 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.738 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.05 -54.89 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.519 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.65 -28.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -86.04 -44.28 6.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 35' ' ' LEU . 71.3 t -71.48 -33.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.846 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.8 mtp -75.33 -50.67 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -54.39 -17.32 2.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -76.56 154.26 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -98.02 53.94 1.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 61' ' ' ILE . 4.8 t -65.94 60.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.754 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -73.95 166.47 54.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.64 155.46 33.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.751 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 65.45 4.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -94.67 137.41 33.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 53.5 mt-10 -96.61 120.61 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 55' ' ' VAL . 2.5 pt -110.43 175.61 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.8 m -152.2 158.52 42.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.65 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.54 134.41 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.883 ' O ' HG23 ' A' ' 33' ' ' ILE . 8.1 m-85 -105.8 161.47 14.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.01 122.85 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.85 98.68 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -177.85 -151.67 9.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -93.6 -21.63 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.076 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.92 1.12 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.58 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.15 -44.83 71.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -61.04 -35.8 77.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.1 -34.55 73.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.713 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.39 -32.94 44.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.19 -30.95 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.648 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.63 -41.51 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -54.05 -70.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.04 -33.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.8 t0 -70.41 -47.79 59.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.871 HG12 HD12 ' A' ' 22' ' ' LEU . 99.6 t -64.46 -39.06 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.887 ' HG ' HD11 ' A' ' 22' ' ' LEU . 31.5 mt -63.62 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -73.92 -29.65 62.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.584 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.2 mmtt -57.01 -40.66 77.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.97 -43.87 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.9 26.24 6.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.704 HD23 ' OD1' ' A' ' 10' ' ' ASP . 3.0 mt -79.18 -18.84 52.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 18.4 p -128.75 173.77 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 9' ' ' ILE . 27.8 mmtt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.738 ' CG ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -119.92 178.47 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -153.86 127.98 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.16 156.33 17.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -154.91 -178.51 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -132.49 137.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.757 HG13 HG12 ' A' ' 55' ' ' VAL . 38.0 mm -81.22 129.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.747 HD13 ' C ' ' A' ' 88' ' ' LYS . 15.8 pt -122.67 -2.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.577 ' OD1' HD23 ' A' ' 86' ' ' LEU . 63.0 t0 -93.76 124.74 37.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -8.52 38.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.558 HG22 ' CD2' ' A' ' 15' ' ' HIS . 86.3 m -88.53 -15.16 35.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.63 119.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -21.43 110.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.682 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.24 -168.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.519 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.15 -25.27 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.731 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -59.04 -65.6 1.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.834 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 -48.81 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.746 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.05 -29.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.81 -56.43 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.6 mtp -56.24 -46.58 79.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -60.83 -50.36 73.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.631 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -62.57 -41.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.4 tt0 -61.66 -61.31 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.61 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.75 -32.5 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.73 -39.36 80.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 5.9 m -80.02 -44.2 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 1.5 mmmm -34.71 -36.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 68.8 m-85 -76.54 -157.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 31' ' ' SER . 2.7 t70 -118.12 -53.34 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.94 157.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.977 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.96 88.71 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -80.88 147.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.4 145.71 49.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.24 139.78 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -137.0 149.11 47.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.836 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.1 t80 -154.9 106.83 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.648 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 50.82 50.6 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.4 1.35 86.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -96.42 88.56 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.97 147.4 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.72 -165.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.789 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.8 115.4 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.852 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -76.18 18.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -119.2 5.32 11.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.0 t -132.99 143.69 49.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -84.06 -53.46 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.485 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.91 -31.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.07 -54.73 2.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 35' ' ' LEU . 97.6 t -57.15 -31.41 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 109.343 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.851 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.0 mtp -76.49 -48.41 19.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -74.85 4.08 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.952 HD12 HD13 ' A' ' 35' ' ' LEU . 7.6 mt -82.19 7.46 13.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.21 47.63 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.757 HG12 HG13 ' A' ' 8' ' ' ILE . 16.3 t -64.08 62.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.01 168.4 33.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.739 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.03 159.29 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.5 t70 64.43 4.86 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.836 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -97.31 137.45 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 18.4 mt-10 -95.98 122.91 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -112.37 172.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 36' ' ' GLU . 73.9 m -150.31 156.32 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -137.82 134.23 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.858 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -106.8 159.31 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -154.86 122.02 5.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -130.95 96.79 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -170.26 -149.29 6.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 t -94.9 -22.74 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASP . 20.4 m-20 -117.72 6.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.606 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.3 pt-20 -34.16 -50.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.481 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -62.57 -44.34 96.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -63.84 -34.12 77.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.18 -33.8 72.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -73.57 -33.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.5 mm-40 -71.23 -28.07 63.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.33 -39.68 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.85 -70.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.67 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.68 -34.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.577 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 25.4 t0 -68.4 -48.12 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 22' ' ' LEU . 89.5 t -64.92 -38.68 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.827 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.2 mt -63.17 -50.82 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.73 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.1 mmtt -57.2 -41.9 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.22 -45.45 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.98 24.75 6.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 14' ' ' ILE . 5.6 mt -77.44 -15.97 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.534 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.0 p -134.81 165.92 24.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.747 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.518 0.199 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -117.34 128.78 55.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.685 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.6 pt20 -114.89 -177.6 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -155.84 128.2 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.74 156.57 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -155.48 179.19 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.2 137.03 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.745 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.7 mm -81.07 130.55 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.727 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.4 pt -124.89 -1.51 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.623 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.4 t0 -94.09 123.83 37.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 1.1 pp20? -68.49 -7.38 31.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.57 HG22 ' CD2' ' A' ' 15' ' ' HIS . 91.3 m -88.7 -14.22 37.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.618 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.39 119.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -22.24 111.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.64 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.85 -166.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -27.82 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.4 -65.16 1.75 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.791 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.709 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.89 -28.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.499 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.83 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.412 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.4 mtp -56.0 -49.34 73.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.902 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -57.58 -51.14 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.743 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -61.97 -43.18 97.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.9 tt0 -62.07 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -54.72 -21.66 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 22' ' ' LEU . . . -69.04 -66.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -71.56 -40.38 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 13.6 mmtp -33.85 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.2 m-85 -72.07 -81.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.4 t70 169.57 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.613 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.3 157.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.969 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.86 84.75 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.4 mt -82.52 145.33 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.644 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -132.63 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.8 tt -95.19 148.46 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 35' ' ' LEU . 28.7 tt0 -143.86 147.4 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.813 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.1 t80 -154.07 110.02 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.64 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 17.9 p30 50.34 52.37 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.94 74.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -100.42 90.28 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.93 149.2 23.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.62 -169.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.784 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -93.35 116.64 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.893 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.25 22.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.743 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -122.32 4.71 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.65 139.57 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.709 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -79.93 -53.43 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.23 -31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.16 -52.47 3.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 35' ' ' LEU . 96.1 t -60.07 -31.39 47.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -76.02 -48.65 20.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -75.84 7.56 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.857 ' CD1' HD22 ' A' ' 35' ' ' LEU . 6.1 mt -84.35 6.83 21.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.62 47.09 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.722 HG13 HG21 ' A' ' 61' ' ' ILE . 21.2 t -63.88 62.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.21 167.21 32.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.745 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -71.03 160.37 33.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 2.6 t70 63.71 5.36 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.813 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.82 138.32 35.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.8 mt-10 -96.16 121.32 37.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.722 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -111.11 173.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -151.53 159.26 44.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.682 HG12 HG21 ' A' ' 77' ' ' ILE . 1.0 OUTLIER -141.03 134.17 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.936 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.9 m-85 -106.4 161.78 14.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.671 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.02 125.91 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -135.71 90.95 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.78 -148.91 5.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -97.06 -18.73 19.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.617 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -114.1 -0.23 14.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.671 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -30.2 -67.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.495 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -44.44 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.1 t0 -63.42 -35.88 81.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.875 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.92 -34.55 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.733 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -69.8 -35.83 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' A' ' 75' ' ' GLN . 24.3 mm-40 -70.24 -28.75 65.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -77.8 -40.62 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.742 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.07 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.658 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.579 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 29.1 t0 -69.62 -47.82 62.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.902 HG12 HD12 ' A' ' 22' ' ' LEU . 89.3 t -64.99 -38.54 83.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.885 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.1 mt -63.3 -51.66 65.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -29.71 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.579 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -56.72 -41.99 78.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.34 -44.85 15.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.27 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.791 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.1 mt -76.75 -15.99 59.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.785 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.548 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.9 p -134.89 166.32 23.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.727 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 66' ' ' ASP . 4.1 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.552 0.215 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.785 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -117.2 129.74 56.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -115.69 -178.42 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -156.08 128.35 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.85 156.17 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.8 m-85 -155.08 -179.6 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.05 137.67 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.832 HG13 HG12 ' A' ' 55' ' ' VAL . 30.0 mm -81.78 128.26 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.8 pt -122.81 -0.53 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.635 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 65.3 t0 -94.41 124.53 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -7.14 31.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.525 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.5 m -88.7 -15.14 35.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.434 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.634 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.84 119.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.634 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -20.47 110.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.238 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.26 -167.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.645 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.797 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.15 -26.55 66.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.0 mtm180 -57.69 -65.31 1.89 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.742 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.69 -29.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.537 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -71.37 -57.78 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.413 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 51.5 mtp -56.14 -46.12 79.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.89 -50.77 72.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD12 ' A' ' 44' ' ' LEU . 2.7 t -62.09 -41.95 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 tt0 -61.75 -64.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.632 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -22.36 15.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.44 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.26 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -73.1 -43.01 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.942 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.9 mmmm -32.42 -35.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.658 ' CZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.7 m-85 -70.02 -82.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER 170.12 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.586 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -37.12 158.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -92.84 85.03 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.927 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.2 mt -82.03 145.48 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -133.66 144.45 49.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.957 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -93.65 151.17 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.957 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.7 tt0 -145.5 148.02 32.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.727 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -154.33 110.19 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.649 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.1 p30 50.62 52.59 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.62 4.85 71.73 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.1 tptt -100.92 91.2 4.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.74 149.99 23.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.802 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.28 -171.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.769 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.873 HD23 HG22 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -78.33 18.63 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.67 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -116.76 2.07 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -134.41 145.02 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.742 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.47 -58.45 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -17.9 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.79 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -66.25 -67.78 1.89 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.957 HG22 HD13 ' A' ' 35' ' ' LEU . 94.8 t -41.04 -33.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.797 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.7 mtp -79.34 -50.8 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 t -78.86 9.56 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 HG11 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -85.49 10.82 11.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.627 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.21 46.28 0.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.565 1.165 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.832 HG12 HG13 ' A' ' 8' ' ' ILE . 11.5 t -62.35 62.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.627 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -62.76 166.8 22.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.74 ' HA ' HG22 ' A' ' 8' ' ' ILE . 6.1 ttpp -71.21 160.37 32.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.14 5.47 2.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.727 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.49 137.11 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 44.6 mt-10 -94.71 122.37 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.74 HG21 HG13 ' A' ' 55' ' ' VAL . 3.8 pt -112.96 174.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.583 ' O ' ' N ' ' A' ' 36' ' ' GLU . 54.1 m -151.05 159.44 44.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.637 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -141.09 135.14 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.927 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 m-85 -108.02 160.91 15.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.56 124.4 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.378 1.049 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 22.8 t0 -136.13 89.02 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -161.41 -145.12 4.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.4 p -97.81 -25.75 14.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' ASP . 69.5 m-20 -114.91 6.68 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.586 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.8 OUTLIER -32.69 -61.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.468 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -53.91 -45.4 71.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -63.84 -33.18 75.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -69.98 -34.55 73.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.785 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.52 -35.2 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 24.2 mm-40 -70.6 -28.33 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.658 ' HB2' ' CZ ' ' A' ' 29' ' ' PHE . . . -78.04 -41.15 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.32 -70.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.659 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.02 -33.89 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.5 t0 -69.58 -47.85 62.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 22' ' ' LEU . 92.9 t -65.05 -38.37 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.936 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.1 mt -63.01 -51.23 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.94 -30.12 62.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.06 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.576 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.7 mmtt -56.71 -40.73 76.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -83.54 -45.96 12.97 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.442 1.088 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.02 24.03 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.103 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.1 mt -76.16 -16.2 59.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.541 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.6 p -134.73 166.62 22.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 110.431 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -148.82 135.82 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.8 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.2 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.85 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -148.82 135.82 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.623 ' OE1' ' CZ ' ' A' ' 64' ' ' TYR . 2.2 pt20 -121.8 177.8 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' OD1' HG12 ' A' ' 74' ' ' ILE . 3.9 m120 -155.56 132.7 10.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.67 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -100.3 159.44 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.67 ' CD1' ' O ' ' A' ' 5' ' ' SER . 31.3 m-85 -154.78 178.92 9.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.058 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.28 138.85 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.5 mm -82.94 129.57 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.6 pt -123.67 -2.61 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.605 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.3 t0 -92.79 123.94 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 2.8 pm0 -66.4 -10.01 39.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.4 m -87.9 -15.58 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.639 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.55 119.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.0 109.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.406 0.709 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -108.37 -167.29 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.553 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.833 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -28.31 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 4.4 mtp180 -56.44 -65.17 1.75 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.795 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.98 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.572 1.827 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.45 -29.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.494 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.78 -57.15 4.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.6 mtp -56.4 -47.85 78.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.96 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -59.39 -49.9 76.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -63.02 -42.06 95.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.0 tt0 -61.73 -61.75 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.63 -27.52 50.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.363 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -66.82 -52.17 46.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.489 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.3 p -76.35 -41.0 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.88 -36.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 55.9 m-85 -75.31 -96.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' SER . 4.1 t70 175.55 -47.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -38.2 151.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.06 77.0 9.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.51 145.56 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -136.91 143.35 42.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.981 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.6 tt -91.66 151.82 20.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.981 ' N ' HD23 ' A' ' 35' ' ' LEU . 30.1 tt0 -146.49 148.39 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.51 111.48 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.667 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.7 p30 51.45 50.39 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.59 4.64 76.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 7.5 tptt -100.6 92.59 5.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.64 150.11 23.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.78 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.66 -170.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.78 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -92.11 116.18 28.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.84 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.67 19.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.777 ' HA ' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -122.1 6.94 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.1 139.9 48.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.06 -52.34 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -37.47 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.904 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.61 -54.98 2.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.915 HG22 HD13 ' A' ' 35' ' ' LEU . 97.4 t -58.3 -28.43 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.833 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.7 mtp -80.46 -51.06 9.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -73.17 3.44 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.904 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -84.74 9.83 13.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.35 48.5 0.32 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.105 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.689 HG12 HG13 ' A' ' 8' ' ' ILE . 22.9 t -63.22 62.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.608 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -67.41 168.98 37.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.726 ' HA ' HG22 ' A' ' 8' ' ' ILE . 8.0 ttmt -70.31 162.39 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.2 t70 64.44 6.06 2.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.17 137.36 38.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 43.3 mt-10 -97.21 118.32 33.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.394 1.059 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.681 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -108.92 172.23 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.58 ' O ' ' N ' ' A' ' 36' ' ' GLU . 37.1 m -149.89 159.95 43.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.62 134.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.397 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.898 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.7 m-85 -106.74 161.84 14.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -155.62 122.43 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -136.32 91.57 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -165.18 -141.56 3.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -97.63 -36.74 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.8 m-20 -106.77 8.74 31.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' CB ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -33.34 -63.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.89 -44.93 70.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -61.63 -34.23 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.83 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.33 -34.28 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.85 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.99 -34.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.28 -30.04 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.37 -40.37 36.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -55.39 -70.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.673 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.3 OUTLIER -40.46 -33.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.958 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 37.4 t0 -69.84 -48.14 60.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.96 HG12 HD12 ' A' ' 22' ' ' LEU . 95.1 t -64.51 -38.3 82.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.916 ' HG ' HD11 ' A' ' 22' ' ' LEU . 29.0 mt -63.8 -51.18 65.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -29.2 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.5 mmtt -57.63 -41.71 81.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.02 -46.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 24.92 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.795 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.536 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.7 p -134.64 165.75 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.763 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.48 0.181 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.768 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -113.86 131.04 56.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.704 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -117.75 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 127.37 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.61 156.01 17.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.5 m-85 -155.11 177.32 11.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.24 136.5 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.742 HG13 HG12 ' A' ' 55' ' ' VAL . 34.7 mm -79.35 127.45 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.768 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -121.18 -1.32 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.648 ' OD2' HD23 ' A' ' 86' ' ' LEU . 61.5 t0 -93.84 125.84 38.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -7.02 30.82 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.572 HG22 ' CD2' ' A' ' 15' ' ' HIS . 71.0 m -90.03 -14.3 34.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 54.86 118.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.78 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.18 108.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.644 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.8 -167.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.63 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.809 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.91 -26.87 67.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 mtt85 -57.89 -65.02 2.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.838 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -75.06 -48.75 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.69 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.83 -32.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.497 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -67.08 -56.08 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 26.1 mtp -56.24 -45.19 80.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.016 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER -61.65 -49.26 77.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.0 t -64.78 -41.24 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.6 tt0 -61.72 -63.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.26 -32.66 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.355 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.9 -40.45 79.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 29' ' ' PHE . 2.9 p -77.31 -42.85 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 10.0 mmtp -36.11 -36.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 73.5 m-85 -79.36 -157.72 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.0 t70 -122.82 -45.12 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.223 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.433 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.76 152.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.97 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -91.92 81.24 5.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.885 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -79.07 147.5 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.662 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -139.15 140.35 37.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.057 HD13 HG22 ' A' ' 50' ' ' VAL . 4.7 tt -87.92 152.11 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.3 tt0 -147.38 147.73 30.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.673 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -155.61 112.57 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.3 p30 50.9 48.42 23.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.37 3.46 82.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.644 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -99.0 92.13 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.56 149.31 23.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.23 -170.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -91.57 116.31 28.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.825 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -75.28 19.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -123.23 8.69 9.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 t -133.01 139.65 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.69 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -83.35 -51.8 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.465 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -37.36 -30.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.935 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.84 -58.03 2.19 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.057 HG22 HD13 ' A' ' 35' ' ' LEU . 93.8 t -54.97 -32.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.585 0.814 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.809 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.7 mtp -76.71 -49.88 14.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.5 m -75.72 3.87 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.46 9.51 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.77 47.8 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.742 HG12 HG13 ' A' ' 8' ' ' ILE . 21.8 t -64.04 62.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.83 170.78 32.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -70.43 160.59 32.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.3 t70 64.92 5.22 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.673 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -96.43 136.23 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 11.7 mt-10 -96.98 117.12 30.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.634 HG21 HG13 ' A' ' 55' ' ' VAL . 3.5 pt -107.78 175.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.5 m -154.1 158.82 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.696 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.14 131.22 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.885 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 6.1 m-85 -104.08 160.58 14.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.72 123.6 5.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -135.08 97.17 3.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -174.58 -147.53 6.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -96.01 -27.29 15.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 109.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -108.81 3.78 22.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.58 -67.77 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.491 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -53.42 -42.57 67.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.97 -37.41 82.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.821 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.39 -34.88 73.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -71.74 -32.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.47 -29.96 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.234 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.4 -42.82 29.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -53.78 -73.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.693 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -39.19 -34.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.572 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.6 t0 -69.49 -48.9 59.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.724 ' CG1' HD12 ' A' ' 22' ' ' LEU . 94.0 t -64.46 -39.59 86.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HG ' HD11 ' A' ' 22' ' ' LEU . 40.0 mt -62.1 -51.4 68.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 m -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.572 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.2 mmtt -57.54 -41.36 80.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.1 mt-10 -82.93 -45.77 13.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.22 24.71 6.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.838 HD11 ' CB ' ' A' ' 18' ' ' PRO . 7.6 mt -75.89 -15.43 60.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.551 ' CA ' HG12 ' A' ' 9' ' ' ILE . 2.6 p -134.38 165.72 24.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.363 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.768 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.5 mmtt . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.218 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.471 0.177 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.07 133.15 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.723 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.493 ' CE ' ' HB2' ' A' ' 66' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.864 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -118.48 134.85 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.233 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.1 pt20 -120.8 -176.77 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.515 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -157.05 127.04 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.7 156.35 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.4 m-85 -155.24 178.81 9.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -130.61 137.23 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.721 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.0 mm -80.85 129.34 37.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.773 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.5 pt -123.95 -0.95 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.0 t0 -94.64 123.86 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -7.84 35.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.558 HG22 ' CD2' ' A' ' 15' ' ' HIS . 92.6 m -87.64 -15.21 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.78 118.51 0.01 OUTLIER Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.754 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.65 112.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.659 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -110.54 -167.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.81 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -69.33 -21.13 63.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.72 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -62.88 -65.08 2.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.844 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.612 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.4 -33.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -64.67 -57.81 8.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 0.0 110.42 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtp -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.928 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -61.56 -51.27 69.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.755 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.8 t -61.93 -40.99 89.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.0 tt0 -62.39 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' ' HB1' ' A' ' 76' ' ' ALA . 0.8 OUTLIER -54.52 -24.17 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.2 -59.83 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.8 p -75.28 -42.3 55.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.76 -36.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.379 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.613 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.0 m-85 -71.99 -89.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 111.056 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' SER . 3.4 t0 173.77 -53.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -37.83 150.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 78.6 9.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.902 HG23 ' O ' ' A' ' 64' ' ' TYR . 3.1 mt -78.19 145.19 10.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.635 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -134.09 143.69 48.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.849 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.3 tt -92.8 148.88 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.849 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.4 tt0 -144.19 149.25 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.358 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.792 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -155.18 108.58 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.662 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.0 p30 51.47 49.27 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.96 2.81 87.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 8.8 tptt -98.53 90.06 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.92 149.3 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.29 -166.07 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.792 ' N ' HG23 ' A' ' 42' ' ' VAL . 21.2 t-20 -95.92 115.0 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.839 HD23 ' CG2' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -76.1 19.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.24 5.4 10.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -132.8 133.9 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.612 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -75.37 -52.95 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.484 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -37.42 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.29 -55.03 2.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.829 HG22 ' CD1' ' A' ' 35' ' ' LEU . 85.1 t -58.51 -32.33 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 109.242 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.81 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.2 mtp -74.75 -48.14 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 m -79.77 9.67 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.777 HD13 HD22 ' A' ' 35' ' ' LEU . 5.7 mt -86.03 10.83 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.587 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.34 46.15 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG12 HG13 ' A' ' 8' ' ' ILE . 25.1 t -64.58 62.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.49 168.14 35.59 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.0 160.02 33.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.8 t70 64.44 5.52 2.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.04 137.08 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 48.8 mt-10 -95.71 120.44 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.381 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.646 HG21 HG13 ' A' ' 55' ' ' VAL . 3.2 pt -110.64 174.2 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 36' ' ' GLU . 52.5 m -151.61 159.87 43.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -141.54 133.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.902 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.6 m-85 -107.96 163.31 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.9 127.22 7.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 10.4 t0 -137.09 89.68 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.7 -144.79 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.552 1.158 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.7 t -98.02 -31.47 12.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ASP . 56.7 m-20 -109.68 7.13 24.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -33.64 -60.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.508 ' HA ' ' OE2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -54.56 -44.66 73.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.916 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.4 t0 -63.43 -33.46 75.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.799 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -69.84 -34.11 73.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.864 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.55 -34.49 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 27.1 mm-40 -70.78 -28.7 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.684 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -77.9 -40.03 41.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.83 -72.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.691 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.02 -33.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 21.2 t0 -69.37 -50.78 42.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.928 HG12 HD12 ' A' ' 22' ' ' LEU . 87.1 t -62.2 -39.45 84.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.906 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.1 mt -61.37 -54.03 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 m -71.88 -29.6 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.362 1.039 . . . . 0.0 109.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 8.2 mtmt -56.3 -41.32 75.73 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.92 -43.96 14.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.79 24.51 6.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.844 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -76.19 -14.97 60.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.33 166.4 23.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.773 ' C ' HD13 ' A' ' 9' ' ' ILE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.471 0.177 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.82 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.07 133.15 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.371 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.4 pt20 -117.48 -177.61 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.548 ' HB2' HG12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -156.23 128.07 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.37 156.07 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.074 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.1 m-85 -155.4 178.58 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -124.8 141.99 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 57' ' ' LYS . 34.9 mm -90.97 124.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG12 ' CA ' ' A' ' 87' ' ' THR . 35.7 pt -122.11 -1.0 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 86' ' ' LEU . 5.3 t0 -84.33 115.7 22.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 1.3 pp20? -62.57 -10.83 13.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.6 m -91.29 -12.63 34.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 56.95 119.75 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.634 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -21.33 108.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.651 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -107.79 -167.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.59 -25.95 66.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.723 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -58.72 -65.18 2.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.04 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.43 -31.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.64 -56.68 7.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.077 . . . . 0.0 110.459 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 39.0 mtp -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.881 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -62.95 -47.14 84.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.709 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -67.12 -40.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.5 tt0 -61.97 -62.19 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.27 -26.57 52.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.01 -50.99 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 29' ' ' PHE . 32.9 p -77.09 -41.85 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 mmmm -33.69 -35.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.705 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 52.0 m-85 -76.24 -96.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.2 t70 173.89 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -41.07 151.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -86.25 76.39 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.888 HG22 HD23 ' A' ' 44' ' ' LEU . 2.7 mt -79.37 147.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.63 146.64 49.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.77 137.17 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.382 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 27.6 tt0 -133.99 149.77 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.835 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.2 t80 -155.95 108.3 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.652 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.7 p30 51.35 48.57 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.37 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.88 2.53 88.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -97.4 90.1 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 0.752 . . . . 0.0 109.36 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.01 147.8 24.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -151.03 -166.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.8 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -93.88 114.65 26.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.888 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -75.33 19.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.86 7.59 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.8 t -132.96 143.87 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.03 -53.81 9.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.494 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -36.0 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.913 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -84.19 -57.1 2.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.994 HG22 HD12 ' A' ' 35' ' ' LEU . 66.3 t -57.57 -28.19 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.829 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 mtp -80.21 -49.57 11.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -77.1 6.42 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.7 10.08 14.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.68 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 33.24 47.88 0.4 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.474 1.109 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.634 HG11 ' HB ' ' A' ' 14' ' ' ILE . 40.1 t -60.13 63.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 0.715 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -59.26 161.92 14.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -71.51 160.83 32.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 1.2 t70 65.54 4.84 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.835 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -97.01 138.83 33.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 65.4 mt-10 -94.47 120.39 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.584 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.63 173.65 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 36' ' ' GLU . 55.3 m -151.22 156.86 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.643 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.45 134.86 43.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.404 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 9.3 m-85 -107.24 160.34 15.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.39 123.83 5.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -137.55 90.01 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' C ' ' HG2' ' A' ' 70' ' ' GLU . . . -165.19 -140.77 2.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -100.0 -31.1 11.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.4 2.62 24.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.566 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -31.33 -65.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.479 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.57 -46.02 70.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.04 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 69' ' ' ASP . 1.2 m-20 -61.04 -35.3 76.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.833 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.34 -35.56 73.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.82 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.9 -33.32 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -71.89 -30.34 65.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.29 -41.21 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -53.88 -71.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.689 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.91 -33.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.58 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 23.4 t0 -68.35 -48.49 64.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.762 ' HB ' HD12 ' A' ' 22' ' ' LEU . 60.9 t -64.74 -38.02 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.8 mt -63.92 -51.74 63.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -73.85 -29.06 61.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.45 -41.41 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.45 -44.95 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.2 25.68 6.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 10' ' ' ASP . 2.9 mt -78.79 -12.81 60.04 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.514 0.773 . . . . 0.0 109.393 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 21.6 p -130.17 170.2 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.515 0.198 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.843 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -135.32 131.4 36.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.797 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.0 pt20 -120.5 179.89 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 3' ' ' GLN . 4.2 m120 -157.82 130.91 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.644 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.29 159.34 15.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.644 ' CD1' ' O ' ' A' ' 5' ' ' SER . 35.2 m-85 -154.49 178.99 9.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.33 135.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 HG12 ' A' ' 55' ' ' VAL . 39.4 mm -80.27 129.72 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.3 pt -123.06 -1.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.706 ' OD2' HD23 ' A' ' 86' ' ' LEU . 58.9 t0 -92.67 126.58 37.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' CD ' ' A' ' 57' ' ' LYS . 17.8 mm-40 -69.03 -9.06 50.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 78.3 m -88.77 -15.23 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.645 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.16 119.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.691 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.19 110.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.623 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -109.33 -166.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.2 -27.61 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.068 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.719 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -57.26 -65.0 1.98 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.803 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.0 Cg_endo -75.03 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.714 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.79 -29.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.492 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.95 -58.13 3.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 0.0 110.422 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.7 mtp -56.42 -46.0 80.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.55 -49.86 74.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.774 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -62.52 -41.46 92.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 3.1 tt0 -62.05 -63.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -55.02 -24.3 23.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.87 -59.03 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -74.78 -43.19 56.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.033 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -32.25 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.403 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 25' ' ' THR . 3.8 m-85 -73.25 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' SER . 8.7 t0 171.75 -54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -35.01 150.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.63 77.94 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.916 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -78.98 144.84 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.651 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -135.61 143.06 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 36' ' ' GLU . 5.4 tt -91.72 151.84 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.967 ' N ' HD23 ' A' ' 35' ' ' LEU . 24.4 tt0 -147.75 147.21 29.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.747 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.7 t80 -153.66 111.81 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.605 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 21.4 p30 49.21 50.14 18.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 77.73 2.41 81.02 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 2.2 tptt -97.95 91.16 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -88.68 149.33 23.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.808 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.71 -168.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.808 ' N ' HG23 ' A' ' 42' ' ' VAL . 23.7 t-20 -93.87 115.34 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -74.8 17.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.774 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -121.47 7.71 10.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 50' ' ' VAL . 5.3 t -132.37 137.87 47.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.56 -53.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.497 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.54 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.94 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.54 -54.81 2.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 35' ' ' LEU . 90.4 t -58.43 -30.04 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.817 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.2 mtp -78.27 -50.12 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -74.97 4.8 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -85.64 8.56 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.635 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.9 48.04 0.35 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 8' ' ' ILE . 37.1 t -61.84 63.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -63.05 166.95 23.23 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.662 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.29 162.43 29.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' CG ' ' O ' ' A' ' 58' ' ' ASP . 1.6 t70 64.19 5.61 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.747 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -98.35 138.33 35.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 6.0 mt-10 -96.77 119.59 35.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.622 HG21 HG13 ' A' ' 55' ' ' VAL . 3.4 pt -110.0 173.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.0 m -150.68 158.53 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.626 ' HA ' ' O ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -141.66 133.89 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.916 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.2 m-85 -106.5 163.04 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.52 123.29 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -135.2 95.79 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -173.26 -146.49 5.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -96.76 -24.47 15.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 0.801 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.15 3.11 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.71 -67.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.37 -44.0 68.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.9 OUTLIER -61.3 -36.46 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.832 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.11 -38.03 75.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.843 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -68.5 -32.84 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 21.4 mm-40 -71.83 -30.05 65.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.582 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.18 -38.01 44.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.7 -72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 109.258 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.685 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -38.95 -33.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 26.1 t70 -69.35 -51.29 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.887 HG12 HD12 ' A' ' 22' ' ' LEU . 94.8 t -61.87 -38.7 81.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.904 ' HG ' HD11 ' A' ' 22' ' ' LEU . 35.6 mt -61.72 -54.14 46.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.1 m -71.82 -30.17 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 9.3 mtmt -55.66 -41.36 73.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -83.64 -44.25 14.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.67 24.54 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.803 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.68 -16.67 59.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.546 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.1 p -134.98 166.48 22.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.469 0.176 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -114.82 127.68 55.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.684 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.8 pt20 -119.26 -179.9 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -153.19 127.84 9.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.88 155.91 17.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.8 m-85 -154.94 -179.52 8.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.09 138.33 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.738 HG22 ' HA ' ' A' ' 57' ' ' LYS . 39.8 mm -82.57 130.71 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.781 HD13 ' C ' ' A' ' 88' ' ' LYS . 12.4 pt -124.24 -1.73 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 62.2 t0 -93.77 124.45 37.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -7.97 35.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.562 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.2 m -89.24 -14.47 35.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.632 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.15 118.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.75 109.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.637 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.57 -167.49 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.813 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.84 -26.7 67.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.724 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.66 -65.23 1.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.822 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 -48.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.412 1.743 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.711 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.96 -29.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.486 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.57 -56.82 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.8 mtp -56.39 -49.68 73.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.928 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.82 -49.94 74.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.744 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.6 t -63.0 -42.65 97.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -62.0 -62.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.89 -25.23 27.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -67.38 -55.65 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' PHE . 4.6 p -75.26 -40.4 58.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -33.11 -36.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.365 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.748 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 54.4 m-85 -75.78 -97.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 9.8 t0 -179.07 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.97 151.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 78.62 8.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.907 HD11 ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt -78.81 146.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.617 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -133.91 147.58 51.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.006 HD13 HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -95.5 139.21 32.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 30.2 tt0 -136.51 150.3 48.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.832 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.8 t80 -156.82 108.66 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.63 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.7 p30 50.14 50.85 17.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 78.12 2.22 82.31 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 3.9 tptt -97.18 88.99 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.11 147.79 24.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.787 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -150.6 -166.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.787 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.04 116.97 29.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.896 HD23 HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -77.92 20.46 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.744 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -120.99 5.41 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.7 t -133.21 146.01 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.711 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -85.69 -54.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.492 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 3.9 mtp -36.79 -31.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -84.25 -55.33 2.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.966 HG22 HD12 ' A' ' 35' ' ' LEU . 96.3 t -57.48 -31.43 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.797 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.813 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.1 mtp -76.06 -47.61 23.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.0 m -75.55 5.32 6.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.006 HD12 HD13 ' A' ' 35' ' ' LEU . 7.1 mt -83.75 8.13 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 35.07 47.4 0.72 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.694 HG13 HG21 ' A' ' 61' ' ' ILE . 21.4 t -63.87 61.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.619 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.1 168.01 34.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.738 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -71.02 159.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 4.1 t70 64.15 5.72 2.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.832 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -99.05 138.38 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 52.7 mt-10 -96.5 122.73 39.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.694 HG21 HG13 ' A' ' 55' ' ' VAL . 2.7 pt -111.4 174.3 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.604 ' O ' ' N ' ' A' ' 36' ' ' GLU . 61.0 m -152.06 156.4 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.353 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.667 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -138.43 135.21 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.89 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.5 m-85 -106.62 160.32 15.53 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 1' ' ' MET . . . -155.04 121.57 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 24.1 t0 -132.47 93.52 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -167.83 -147.61 5.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -95.01 -28.65 15.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 0.72 . . . . 0.0 109.938 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 72' ' ' ASP . 85.3 m-20 -112.67 7.76 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -33.61 -50.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.609 ' HA ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -64.11 -44.45 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.78 -36.68 79.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.378 179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.907 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.84 -35.41 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.741 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.53 -33.65 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.429 ' HA ' ' NE2' ' A' ' 75' ' ' GLN . 22.3 mm-40 -71.52 -29.43 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.622 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.2 -41.19 35.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -53.58 -70.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.681 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -34.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 19.6 t0 -70.23 -50.29 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 22' ' ' LEU . 77.2 t -61.84 -38.86 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.928 ' HG ' HD11 ' A' ' 22' ' ' LEU . 33.9 mt -61.38 -53.55 55.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 m -72.53 -29.64 63.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 79' ' ' ASP . 10.6 mtmt -56.04 -41.58 75.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -82.59 -44.2 16.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.321 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.26 23.76 6.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.556 1.16 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.865 HD13 HG12 ' A' ' 14' ' ' ILE . 6.1 mt -77.2 -16.88 58.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.55 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.5 p -134.48 166.05 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.781 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 64' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 70' ' ' GLU . 1.1 mm-40 -89.48 156.92 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 0.0 110.357 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 64' ' ' TYR . 6.3 pt20 -159.0 166.39 31.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.339 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -160.18 132.29 6.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -102.42 158.29 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 40.5 m-85 -155.24 177.66 11.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -128.73 136.64 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 55' ' ' VAL . 33.4 mm -80.74 127.42 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.674 HD13 ' C ' ' A' ' 88' ' ' LYS . 16.5 pt -122.24 -0.19 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.683 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 43.4 t0 -94.24 124.8 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.53 -7.7 34.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.39 1.056 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 15' ' ' HIS . 89.6 m -89.87 -13.89 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.635 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.2 119.6 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -20.41 109.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.629 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -108.37 -167.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.794 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.73 -29.73 70.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.73 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -54.79 -65.53 1.31 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.815 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -74.98 -50.29 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.731 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.5 -29.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.472 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.05 -57.62 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mtp -56.17 -45.84 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.954 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -61.1 -49.99 75.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 44' ' ' LEU . 2.5 t -63.38 -41.46 92.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -61.89 -63.37 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.617 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.86 -22.94 16.24 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.74 -57.89 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 29' ' ' PHE . 97.6 p -75.68 -42.28 51.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 2.0 mmmm -33.19 -36.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.63 ' HZ ' ' HB2' ' A' ' 76' ' ' ALA . 4.5 m-85 -73.49 -87.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 31' ' ' SER . 4.9 t0 172.61 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.568 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.29 157.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.6 84.21 5.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.7 mt -79.09 144.22 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.12 147.06 50.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.984 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -98.2 136.94 37.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' A' ' 62' ' ' THR . 23.4 tt0 -132.1 150.9 52.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 1.207 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.821 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 5.3 t80 -156.26 107.06 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.701 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 20.0 p30 52.92 50.8 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.7 4.02 80.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.9 tptt -100.32 92.21 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.45 149.92 23.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.89 HG11 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -150.35 -165.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.816 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -97.08 112.53 24.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.897 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -75.44 18.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -116.58 2.57 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 50' ' ' VAL . 4.6 t -131.87 145.48 51.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.731 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -85.59 -51.38 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.451 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.81 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 1.0 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.69 -56.86 2.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.984 HG22 HD12 ' A' ' 35' ' ' LEU . 57.8 t -57.13 -28.97 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.794 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 24.7 mtp -79.3 -50.91 10.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 m -75.22 6.83 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.68 10.94 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.7 48.06 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 8' ' ' ILE . 12.4 t -62.96 62.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -64.49 167.51 28.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.755 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -71.38 161.29 31.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 0.7 OUTLIER 65.34 5.3 3.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.67 135.61 40.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 17.3 mt-10 -94.42 120.13 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -110.42 168.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.671 ' O ' ' N ' ' A' ' 36' ' ' GLU . 76.1 m -146.55 155.22 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -136.23 137.63 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.909 ' O ' HG23 ' A' ' 33' ' ' ILE . 53.0 m-85 -113.46 163.16 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.29 128.08 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -135.2 90.02 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.41 -143.88 3.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m -97.43 -29.2 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 72' ' ' ASP . 79.5 m-20 -111.52 7.3 20.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.568 ' N ' ' OG ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -30.99 -64.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -53.34 -44.27 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -63.33 -35.4 80.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.26 -35.7 73.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -73.31 -30.19 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.6 mm-40 -73.46 -28.83 62.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.63 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.32 -41.28 34.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.27 -69.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.665 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.16 -34.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.09 . . . . 0.0 109.932 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.571 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 24.8 t0 -69.71 -47.78 61.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.396 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.869 HG12 HD12 ' A' ' 22' ' ' LEU . 85.5 t -64.59 -39.88 87.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.954 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.0 mt -62.24 -51.13 68.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -73.65 -29.86 62.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.571 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.0 mmtt -57.11 -41.24 78.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.2 mt-10 -82.13 -45.74 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.24 24.79 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.0 mt -77.44 -15.28 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.523 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.2 p -134.91 165.91 24.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.674 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HB2' ' CB ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.478 0.18 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.837 ' OE2' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -122.74 147.28 46.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.745 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -134.11 -179.47 5.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.69 129.8 6.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.629 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.22 158.72 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.946 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.3 m-85 -153.48 179.33 8.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -131.35 135.99 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.731 HG22 ' HA ' ' A' ' 57' ' ' LYS . 41.3 mm -80.06 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.785 HD13 ' C ' ' A' ' 88' ' ' LYS . 13.0 pt -123.28 -2.99 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.738 ' OD2' HD23 ' A' ' 86' ' ' LEU . 49.6 t0 -92.94 122.88 35.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.366 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' CA ' ' HE2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -66.89 -8.21 27.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.571 HG22 ' CD2' ' A' ' 15' ' ' HIS . 87.1 m -87.83 -15.44 36.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.643 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 118.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.732 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -19.45 113.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 0.724 . . . . 0.0 109.193 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.664 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -112.39 -169.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.531 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.882 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.14 -21.68 65.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.737 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -62.51 -65.91 1.86 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.846 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 -48.33 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.732 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.2 -29.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -70.13 -57.08 5.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.8 mtp -56.25 -44.53 79.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.889 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.64 -51.02 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.4 t -61.89 -40.59 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.4 tt0 -62.48 -63.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.43 -22.92 22.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.411 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.97 -63.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -72.96 -43.64 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -33.18 -35.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.3 m-85 -70.72 -86.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' O ' ' O ' ' A' ' 31' ' ' SER . 5.6 t70 173.78 -60.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.86 158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 84.59 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.912 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.4 mp -80.44 144.64 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.706 ' O ' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -131.58 146.7 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.358 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.065 HD13 HG22 ' A' ' 50' ' ' VAL . 5.4 tt -97.9 152.95 18.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.944 ' N ' HD23 ' A' ' 35' ' ' LEU . 27.5 tt0 -147.47 149.18 32.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.734 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 4.0 t80 -155.12 110.37 3.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.679 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.95 50.8 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.6 4.51 75.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.1 tptt -100.87 92.74 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -88.55 150.56 23.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.791 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.35 -170.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.791 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -93.59 112.46 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -72.91 20.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.726 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -120.34 5.53 10.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -131.84 144.56 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.732 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -86.54 -53.53 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.486 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.22 -29.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.968 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.11 -54.55 2.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.065 HG22 HD13 ' A' ' 35' ' ' LEU . 75.4 t -59.62 -29.09 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.882 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 22.0 mtp -78.97 -49.82 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -75.31 4.78 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.01 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.968 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.57 9.86 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.92 47.61 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 8' ' ' ILE . 57.0 t -63.24 62.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -66.13 169.39 31.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.731 ' HA ' HG22 ' A' ' 8' ' ' ILE . 7.0 ttmt -70.93 162.44 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.7 t70 64.75 5.37 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.734 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -100.16 138.42 37.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 24.4 mt-10 -98.19 121.74 40.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 55' ' ' VAL . 2.2 pt -111.68 170.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.597 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.3 m -147.64 159.45 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.672 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.99 136.65 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.912 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -110.03 164.08 12.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.837 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . . . -154.62 127.59 8.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.515 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 10.1 t0 -138.56 89.32 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -163.71 -143.84 3.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -96.49 -32.92 12.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.769 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 72' ' ' ASP . 25.5 m-20 -108.95 8.33 26.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.673 ' C ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -30.47 -66.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.476 ' N ' ' OE1' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -52.6 -45.12 66.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -61.14 -34.13 74.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.749 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.28 -37.04 74.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -69.56 -33.56 57.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' HA ' ' NE2' ' A' ' 75' ' ' GLN . 21.8 mm-40 -70.52 -29.55 66.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.604 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.22 -38.63 42.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.362 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -57.27 -70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.672 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.35 -33.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 28.4 t0 -69.38 -48.34 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 22' ' ' LEU . 87.5 t -64.49 -38.42 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.889 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.8 mt -63.23 -51.9 64.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.8 m -73.25 -29.58 62.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.565 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.3 mmtt -57.22 -41.86 80.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.08 -45.09 15.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.67 23.73 6.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 18' ' ' PRO . 4.8 mt -76.42 -17.52 59.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.549 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.5 p -134.75 166.81 22.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.785 ' C ' HD13 ' A' ' 9' ' ' ILE . 29.2 mttt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.538 ' HB2' ' CA ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.466 0.174 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.819 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -120.31 129.18 53.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.566 1.166 . . . . 0.0 110.243 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 74' ' ' ILE . 4.0 pt20 -116.7 -178.15 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -154.17 126.95 8.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.99 155.67 17.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.645 ' CD1' ' O ' ' A' ' 5' ' ' SER . 37.6 m-85 -154.58 177.22 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -128.15 135.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 57' ' ' LYS . 40.2 mm -80.07 128.58 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.665 HD11 ' O ' ' A' ' 87' ' ' THR . 35.1 pt -122.22 -1.51 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.69 ' OD1' HD23 ' A' ' 86' ' ' LEU . 61.7 t0 -92.5 123.29 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.66 -7.38 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 15' ' ' HIS . 88.2 m -89.84 -13.36 36.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.62 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.41 117.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -21.94 110.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 0.73 . . . . 0.0 109.364 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.634 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -107.66 -166.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.577 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.55 -27.54 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 mtt180 -56.88 -65.38 1.72 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.0 -48.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.726 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.98 -30.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.495 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -68.95 -55.04 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.406 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.61 -45.19 81.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 ' HG ' ' A' ' 81' ' ' LEU . 1.8 tp -61.51 -48.42 81.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -65.58 -42.1 92.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 5.3 tt0 -60.57 -62.13 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.41 -35.42 67.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.12 -38.24 78.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.467 ' O ' ' C ' ' A' ' 28' ' ' LYS . 1.6 p -78.37 -46.53 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.58 1.175 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -35.46 -35.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 25' ' ' THR . 58.8 m-85 -77.75 -158.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -122.97 -42.78 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.53 151.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -90.23 79.6 6.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HA ' ' O ' ' A' ' 64' ' ' TYR . 2.1 mp -78.04 148.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.616 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -138.69 143.65 39.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.897 HD12 HG22 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -91.64 144.74 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.783 ' H ' HD23 ' A' ' 35' ' ' LEU . 29.9 tt0 -141.45 147.64 38.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.85 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 9.3 t80 -154.76 110.28 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.636 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 18.5 p30 50.22 51.28 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 76.0 5.33 80.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.552 1.158 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.3 tptt -100.6 89.82 4.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.95 148.98 23.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.775 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.83 -166.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.775 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -94.62 116.94 29.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.832 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -77.11 18.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.387 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -121.57 7.35 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.398 1.061 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.1 t -133.94 137.07 44.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.726 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -79.27 -51.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.472 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 1.4 mtp -37.3 -33.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . -83.86 -54.33 3.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.897 HG22 HD12 ' A' ' 35' ' ' LEU . 60.4 t -56.56 -33.79 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.741 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.4 mtp -74.38 -48.08 30.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 m -76.79 5.79 7.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 HD13 ' A' ' 35' ' ' LEU . 6.9 mt -83.4 8.7 12.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 34.86 46.69 0.63 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.595 HG13 HG21 ' A' ' 61' ' ' ILE . 44.3 t -65.07 62.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -68.04 169.19 39.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.749 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -71.12 159.86 33.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.1 t70 65.47 5.0 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -99.58 137.23 38.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 87.4 mt-10 -96.3 120.5 36.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 HG21 HG13 ' A' ' 55' ' ' VAL . 3.0 pt -108.56 174.93 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.581 ' O ' HD23 ' A' ' 35' ' ' LEU . 63.0 m -152.81 158.75 42.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -140.47 132.9 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.872 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 5.7 m-85 -104.93 160.86 14.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.34 122.24 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.22 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.538 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 22.5 t0 -133.11 96.73 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -175.3 -147.91 6.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -95.88 -28.44 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -107.15 3.02 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -32.89 -66.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.483 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.49 -43.73 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -60.98 -36.67 80.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.812 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.2 -35.19 73.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.819 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -70.73 -33.91 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.427 HE21 HG22 ' A' ' 74' ' ' ILE . 26.5 mm-40 -71.07 -30.03 66.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -78.02 -40.28 39.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.812 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.86 -72.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.696 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -39.91 -33.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.069 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.597 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 21.3 t0 -68.67 -48.0 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.737 ' HB ' HD12 ' A' ' 22' ' ' LEU . 59.9 t -65.5 -39.93 86.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.901 ' HG ' HD11 ' A' ' 22' ' ' LEU . 43.1 mt -62.77 -50.19 72.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -74.72 -29.88 61.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.597 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.6 mmtt -57.14 -41.24 78.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -84.48 -45.87 12.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.18 26.17 6.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 18' ' ' PRO . 3.9 mt -78.27 -17.91 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.706 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 7.3 p -129.56 175.92 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.458 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD2' HG13 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.62 ' CG ' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.636 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -118.98 115.61 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.768 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.2 pt20 -119.73 177.88 4.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.585 ' OD1' HG21 ' A' ' 74' ' ' ILE . 4.2 m120 -155.06 130.15 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -98.53 157.76 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.997 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.64 ' CD1' ' O ' ' A' ' 5' ' ' SER . 38.4 m-85 -154.56 179.6 8.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -130.83 135.52 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.746 HG22 ' HA ' ' A' ' 57' ' ' LYS . 38.4 mm -79.83 129.97 36.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.749 HD13 ' C ' ' A' ' 88' ' ' LYS . 14.6 pt -124.18 -1.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.611 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 63.1 t0 -93.67 124.87 37.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.59 -9.18 48.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.532 HG22 ' CD2' ' A' ' 15' ' ' HIS . 81.5 m -87.54 -15.22 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.67 119.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.767 HG12 HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -20.92 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.34 -167.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.772 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -65.91 -27.55 68.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.611 1.194 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.731 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -56.98 -65.55 1.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.812 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -41.14 -33.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' HD11 ' A' ' 47' ' ' ILE . 2.8 m -66.86 -57.72 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.0 mtp -56.01 -46.83 78.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.978 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -60.29 -51.31 70.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.393 1.058 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.727 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.5 t -61.8 -41.73 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.1 tt0 -62.62 -63.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.626 ' O ' ' CD1' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -54.78 -23.4 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -69.03 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 29' ' ' PHE . 76.9 p -73.97 -41.89 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -31.94 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 25' ' ' THR . 4.5 m-85 -72.0 -92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' SER . 5.1 t70 -179.03 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -37.77 151.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.034 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.04 82.38 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.933 HD11 ' CB ' ' A' ' 73' ' ' ALA . 2.8 mt -79.49 144.25 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.659 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -128.93 147.2 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.69 138.09 33.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -136.34 148.66 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 8.9 t80 -156.01 109.81 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 51.2 50.05 19.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.085 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.17 4.03 82.87 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.699 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tptm -98.9 90.69 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -89.05 148.62 23.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.924 HG11 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -151.03 -166.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.809 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -95.15 114.69 26.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -76.36 21.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.727 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -120.41 4.78 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.8 t -132.55 146.19 51.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 110.055 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.683 HD11 ' C ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -86.96 -50.95 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.408 1.067 . . . . 0.0 109.394 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.437 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -36.62 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.986 ' O ' HD23 ' A' ' 53' ' ' LEU . . . -85.25 -59.76 1.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 35' ' ' LEU . 54.2 t -52.83 -30.23 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.772 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.9 mtp -78.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.6 t -74.76 6.58 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -85.61 10.28 13.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.606 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 32.26 48.36 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 8' ' ' ILE . 24.5 t -63.28 62.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 54' ' ' GLY . . . -65.72 167.71 33.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.746 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -71.14 162.53 29.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 64.12 6.53 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -102.14 137.49 40.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 20.1 mt-10 -96.24 122.44 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.655 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -110.65 172.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 36' ' ' GLU . 88.5 m -150.71 156.64 41.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.697 ' CD1' HD13 ' A' ' 77' ' ' ILE . 0.9 OUTLIER -140.14 134.15 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.907 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.5 m-85 -105.24 165.05 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 33' ' ' ILE . . . -154.92 128.76 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.62 ' HB2' ' CG ' ' A' ' 1' ' ' MET . 19.6 t0 -135.51 92.41 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -168.56 -152.59 7.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 t -94.34 -22.2 18.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 72' ' ' ASP . 13.6 m-20 -116.41 6.03 13.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -31.26 -51.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.227 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.572 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.58 -46.15 91.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.958 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -60.85 -34.52 74.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.933 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -70.36 -38.07 74.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -74.09 -33.94 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.539 ' OE1' ' O ' ' A' ' 71' ' ' SER . 1.3 mp0 -67.92 -30.69 70.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.47 -41.55 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -52.25 -69.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.667 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.73 -34.5 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.578 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 26.3 t0 -70.21 -47.27 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG12 HD12 ' A' ' 22' ' ' LEU . 96.1 t -64.97 -38.64 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.978 ' HG ' HD11 ' A' ' 22' ' ' LEU . 32.3 mt -62.69 -51.2 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m -74.54 -29.55 61.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.1 mmtt -57.41 -41.95 81.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -81.45 -46.32 14.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.05 24.05 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.812 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.3 mt -77.59 -16.94 58.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.545 ' CA ' HG12 ' A' ' 9' ' ' ILE . 3.3 p -135.62 167.19 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.749 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.6 mmtp . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.2 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.487 0.184 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.713 ' HG3' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -111.84 125.08 53.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 74' ' ' ILE . 2.5 pt20 -121.35 179.83 4.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.46 ' HB2' HG12 ' A' ' 74' ' ' ILE . 3.8 m120 -158.3 131.92 7.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -99.1 159.49 14.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.933 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 5' ' ' SER . 33.6 m-85 -154.59 -178.84 7.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 87' ' ' THR . 0.4 OUTLIER -128.88 143.95 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.768 HG22 ' HA ' ' A' ' 57' ' ' LYS . 31.2 mm -91.31 126.2 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.8 HG21 ' HD3' ' A' ' 88' ' ' LYS . 31.5 pt -120.51 -2.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.704 ' OD1' HD23 ' A' ' 86' ' ' LEU . 59.5 t0 -91.66 122.74 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -68.59 -8.13 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 15' ' ' HIS . 90.9 m -88.29 -14.57 37.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.358 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.633 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.9 119.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.65 ' HB ' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -20.53 112.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.666 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -111.77 -166.43 1.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.586 1.179 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -67.24 -25.96 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.725 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 2.2 mtm180 -58.08 -65.29 1.96 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.0 Cg_endo -75.04 -49.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.738 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.22 -27.63 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.622 1.201 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.525 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -73.95 -57.86 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.589 1.181 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.3 mtp -55.98 -47.57 77.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.887 HD11 ' HG ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -60.32 -50.47 73.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.361 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.684 HG22 HD12 ' A' ' 44' ' ' LEU . 3.4 t -61.99 -41.86 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 tt0 -61.9 -61.95 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.614 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -55.66 -25.17 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.429 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' CB ' ' HG ' ' A' ' 44' ' ' LEU . . . -68.47 -54.75 14.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' PHE . 2.2 p -74.73 -41.39 60.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.909 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -33.58 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.657 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 51.2 m-85 -75.5 -94.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . 15.5 t70 175.93 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -38.64 150.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 78.65 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.9 mt -79.01 145.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -136.71 145.39 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.903 HD23 ' N ' ' A' ' 36' ' ' GLU . 3.9 tt -92.93 147.83 22.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.903 ' N ' HD23 ' A' ' 35' ' ' LEU . 25.9 tt0 -144.02 148.73 35.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' LYS . 5.1 t80 -155.77 110.64 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 22.4 p30 49.77 48.93 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.33 1.82 86.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -96.88 89.94 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.81 149.71 23.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.77 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -150.2 -168.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.77 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -95.26 116.76 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.859 HD23 HG22 ' A' ' 33' ' ' ILE . 1.1 tp -79.18 18.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.661 ' HA ' HG13 ' A' ' 23' ' ' VAL . 2.9 mmmt -119.08 4.07 11.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 t -136.04 143.05 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.738 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.1 tp -81.05 -54.89 9.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.519 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.65 -28.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -86.04 -44.28 6.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 35' ' ' LEU . 71.3 t -71.48 -33.38 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.846 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 23.8 mtp -75.33 -50.67 15.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.8 t -54.39 -17.32 2.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.406 1.066 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -76.56 154.26 34.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -98.02 53.94 1.2 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 61' ' ' ILE . 4.8 t -65.94 60.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.754 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -73.95 166.47 54.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.768 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.64 155.46 33.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.751 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 2.9 t70 65.45 4.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 56' ' ' GLY . . . -94.67 137.41 33.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 53.5 mt-10 -96.61 120.61 37.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 55' ' ' VAL . 2.5 pt -110.43 175.61 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 36' ' ' GLU . 53.8 m -152.2 158.52 42.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.65 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -141.54 134.41 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.883 ' O ' HG23 ' A' ' 33' ' ' ILE . 8.1 m-85 -105.8 161.47 14.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.617 ' HB1' ' HA ' ' A' ' 70' ' ' GLU . . . -155.01 122.85 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.498 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 23.3 t0 -132.85 98.68 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . -177.85 -151.67 9.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -93.6 -21.63 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.076 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.92 1.12 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.617 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -31.58 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.15 -44.83 71.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -61.04 -35.8 77.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.1 -34.55 73.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.713 HD13 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -72.39 -32.94 44.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.4 mm-40 -69.19 -30.95 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.648 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.63 -41.51 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -54.05 -70.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -41.04 -33.45 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.584 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 20.8 t0 -70.41 -47.79 59.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.871 HG12 HD12 ' A' ' 22' ' ' LEU . 99.6 t -64.46 -39.06 84.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.887 ' HG ' HD11 ' A' ' 22' ' ' LEU . 31.5 mt -63.62 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 m -73.92 -29.65 62.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.584 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 10.2 mmtt -57.01 -40.66 77.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -84.97 -43.87 13.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.9 26.24 6.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.704 HD23 ' OD1' ' A' ' 10' ' ' ASP . 3.0 mt -79.18 -18.84 52.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 18.4 p -128.75 173.77 10.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 9' ' ' ILE . 27.8 mmtt . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.539 0.209 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.738 ' CG ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -115.87 125.78 53.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.743 ' HA ' HD11 ' A' ' 74' ' ' ILE . 3.3 pt20 -119.92 178.47 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -153.86 127.98 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -99.16 156.33 17.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 5' ' ' SER . 39.7 m-85 -154.91 -178.51 7.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -132.49 137.42 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.757 HG13 HG12 ' A' ' 55' ' ' VAL . 38.0 mm -81.22 129.49 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.747 HD13 ' C ' ' A' ' 88' ' ' LYS . 15.8 pt -122.67 -2.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.577 ' OD1' HD23 ' A' ' 86' ' ' LEU . 63.0 t0 -93.76 124.74 37.97 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -8.52 38.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.558 HG22 ' CD2' ' A' ' 15' ' ' HIS . 86.3 m -88.53 -15.16 35.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 14' ' ' ILE . . . 55.63 119.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -21.43 110.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.682 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.24 -168.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.519 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.851 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -66.15 -25.27 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.731 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -59.04 -65.6 1.92 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.834 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 -48.81 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.746 ' C ' HD11 ' A' ' 47' ' ' ILE . . . -42.05 -29.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -69.81 -56.43 7.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.6 mtp -56.24 -46.58 79.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -60.83 -50.36 73.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.631 HG13 ' HA ' ' A' ' 45' ' ' LYS . 2.3 t -62.57 -41.9 93.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 6.4 tt0 -61.66 -61.31 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.61 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -56.75 -32.5 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 33' ' ' ILE . . . -68.73 -39.36 80.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 5.9 m -80.02 -44.2 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.035 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 1.5 mmmm -34.71 -36.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 68.8 m-85 -76.54 -157.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 31' ' ' SER . 2.7 t70 -118.12 -53.34 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -36.94 157.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.585 1.178 . . . . 0.0 109.977 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.96 88.71 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.858 HG23 ' O ' ' A' ' 64' ' ' TYR . 2.3 mp -80.88 147.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.4 145.71 49.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -95.24 139.78 31.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 29.6 tt0 -137.0 149.11 47.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.836 ' HE1' ' HB1' ' A' ' 59' ' ' ALA . 10.1 t80 -154.9 106.83 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.648 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 19.8 p30 50.82 50.6 18.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' C ' ' HD2' ' A' ' 41' ' ' LYS . . . 79.4 1.35 86.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.694 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -96.42 88.56 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -88.97 147.4 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.789 HG23 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -150.72 -165.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.789 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -95.8 115.4 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.852 HD23 HG22 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -76.18 18.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HA ' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -119.2 5.32 11.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 50' ' ' VAL . 3.0 t -132.99 143.69 49.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' C ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -84.06 -53.46 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.485 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -36.91 -31.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ILE . . . -85.07 -54.73 2.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 35' ' ' LEU . 97.6 t -57.15 -31.41 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 109.343 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.851 ' SD ' ' HB2' ' A' ' 16' ' ' ALA . 21.0 mtp -76.49 -48.41 19.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -74.85 4.08 7.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.952 HD12 HD13 ' A' ' 35' ' ' LEU . 7.6 mt -82.19 7.46 13.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . 36.21 47.63 1.09 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.757 HG12 HG13 ' A' ' 8' ' ' ILE . 16.3 t -64.08 62.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 59' ' ' ALA . . . -66.01 168.4 33.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.739 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -71.03 159.29 35.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 3.5 t70 64.43 4.86 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.836 ' HB1' ' HE1' ' A' ' 37' ' ' TYR . . . -97.31 137.45 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 7' ' ' VAL . 18.4 mt-10 -95.98 122.91 39.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.724 HG21 HG13 ' A' ' 55' ' ' VAL . 2.4 pt -112.37 172.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.608 ' O ' ' N ' ' A' ' 36' ' ' GLU . 73.9 m -150.31 156.32 41.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 HG13 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -137.82 134.23 45.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.858 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.9 m-85 -106.8 159.31 16.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 1' ' ' MET . . . -154.86 122.02 5.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' CA ' ' HB2' ' A' ' 1' ' ' MET . 21.1 t0 -130.95 96.79 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -170.26 -149.29 6.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.2 t -94.9 -22.74 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASP . 20.4 m-20 -117.72 6.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.606 ' N ' ' OG ' ' A' ' 31' ' ' SER . 1.3 pt-20 -34.16 -50.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.481 ' OG ' ' OE2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -62.57 -44.34 96.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -63.84 -34.12 77.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 77' ' ' ILE . . . -70.18 -33.8 72.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.743 HD11 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -73.57 -33.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 75' ' ' GLN . 22.5 mm-40 -71.23 -28.07 63.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 29' ' ' PHE . . . -78.33 -39.68 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -56.85 -70.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.67 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -40.68 -34.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.577 ' O ' ' CG ' ' A' ' 83' ' ' LYS . 25.4 t0 -68.4 -48.12 65.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 22' ' ' LEU . 89.5 t -64.92 -38.68 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.827 ' HG ' HD11 ' A' ' 22' ' ' LEU . 34.2 mt -63.17 -50.82 68.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.73 61.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' ASP . 11.1 mmtt -57.2 -41.9 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -82.22 -45.45 15.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.98 24.75 6.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.859 HD13 HG12 ' A' ' 14' ' ' ILE . 5.6 mt -77.44 -15.97 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.534 ' CA ' HG12 ' A' ' 9' ' ' ILE . 4.0 p -134.81 165.92 24.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.747 ' C ' HD13 ' A' ' 9' ' ' ILE . 1.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 stop_ save_